(Q104253037)

English

(6S,7Ar)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

group of stereoisomers with the chemical formula C₄₀H₅₆O₃

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Statements

instance of

group of stereoisomers

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584.422945652 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₃

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canonical SMILES

OC1CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C)C2OC3(C(=C2)C(C)(C)CC(O)C3)C)C)C)C)C(C)(C)C1)C

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isomeric SMILES

CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C2C=C3C(C)(C)C[C@H](O)C[C@@]3(C)O2)C(C)(C)C[C@H](O)C1

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found in taxon

Lycopodium annotinum

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Carotenoids in sixty-six representatives of the Pteridophyta

Lycopodium clavatum

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Carotenoids in sixty-six representatives of the Pteridophyta

Equisetum arvense

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Carotenoids in sixty-six representatives of the Pteridophyta

Equisetum hyemale

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Carotenoids in sixty-six representatives of the Pteridophyta

Equisetum fluviatile

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Carotenoids in sixty-six representatives of the Pteridophyta

Equisetum telmateia

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Carotenoids in sixty-six representatives of the Pteridophyta

Equisetum palustre

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Carotenoids in sixty-six representatives of the Pteridophyta

Equisetum pratense

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Carotenoids in sixty-six representatives of the Pteridophyta

Equisetum sylvaticum

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Carotenoids in sixty-six representatives of the Pteridophyta

Adiantum capillus-veneris

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Carotenoids in sixty-six representatives of the Pteridophyta

Cyrtomium falcatum

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Carotenoids in sixty-six representatives of the Pteridophyta

Dryopteris dilatata

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Carotenoids in sixty-six representatives of the Pteridophyta

Polystichum aculeatum

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Carotenoids in sixty-six representatives of the Pteridophyta

Asplenium trichomanes

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Carotenoids in sixty-six representatives of the Pteridophyta

Cystopteris bulbifera

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Carotenoids in sixty-six representatives of the Pteridophyta

Cystopteris fragilis

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Carotenoids in sixty-six representatives of the Pteridophyta

Cystopteris sudetica

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Carotenoids in sixty-six representatives of the Pteridophyta

Azolla microphylla

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Carotenoids in sixty-six representatives of the Pteridophyta

Blechnum spicant

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Carotenoids in sixty-six representatives of the Pteridophyta

Davallia solida

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Carotenoids in sixty-six representatives of the Pteridophyta

Osmunda regalis

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Carotenoids in sixty-six representatives of the Pteridophyta

Platycerium alcicorne

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Carotenoids in sixty-six representatives of the Pteridophyta

Phlebodium aureum

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Carotenoids in sixty-six representatives of the Pteridophyta

Polypodium vulgare

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Carotenoids in sixty-six representatives of the Pteridophyta

Pteris longifolia

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Carotenoids in sixty-six representatives of the Pteridophyta

Pteridium aquilinum

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Carotenoids in sixty-six representatives of the Pteridophyta

Metasequoia glyptostroboides

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Ketocarotenoids—Autumn carotenoids in Metasequoia glyptostroboides

Cladonia pleurota

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Carotenoids in representatives of the cladoniaceae

Cladonia turgida

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Carotenoids in representatives of the cladoniaceae

Botrylloides violaceus

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Carotenoids of sea squirts—II. Comparative biochemical studies of carotenoids in sea squirts

Citrus cavaleriei

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Carotenoids of promising citrus hybrids

Cladonia mitis

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The carotenoid content of lichens from Greenland

Eschscholzia californica

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A new retro-carotenoid from the petals of the Californian yellow poppy Eschscholtzia californica

Lobaria pulmonaria

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Carotenoids in lichens from the Canary Islands

Nephroma laevigatum

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Carotenoids in lichens from the Canary Islands

Stereocaulon alpinum

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The carotenoid content of lichens from Greenland

Vitis vinifera

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Carotenoids of the grape

Dryopteris paleacea

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Carotenoids in sixty-six representatives of the Pteridophyta

Polypodium virginianum

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Carotenoids in sixty-six representatives of the Pteridophyta

Azolla cristata

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Carotenoids in sixty-six representatives of the Pteridophyta

Azolla filiculoides

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Carotenoids in sixty-six representatives of the Pteridophyta

Dryopteris expansa

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Carotenoids in sixty-six representatives of the Pteridophyta

Pteris vittata

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Carotenoids in sixty-six representatives of the Pteridophyta

Davallia sinensis

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Carotenoids in sixty-six representatives of the Pteridophyta

Diphasiastrum tristachyum

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Carotenoids in sixty-six representatives of the Pteridophyta

Dryopteris borreri

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Carotenoids in sixty-six representatives of the Pteridophyta

Dryopteris wallichiana

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Carotenoids in sixty-six representatives of the Pteridophyta

Dryopteris affinis

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Carotenoids in sixty-six representatives of the Pteridophyta

Identifiers

InChI

InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-22,24,33-34,36,41-42H,23,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34+,36?,40-/m1/s1

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InChIKey

IFYMEZNJCAQUME-HHBFRJADSA-N

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CAS Registry Number

31661-06-0

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stated in

CAS (formerly Chemical Abstracts Service)

25 January 2022

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26 December 2021

matched by identifier from

InChIKey

IFYMEZNJCAQUME-HHBFRJADSA-N

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MassBank accession ID

MSBNK-Kyoto_Univ-CA000079

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DSSTox substance ID

DTXSID601317709

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matched by identifier from

InChIKey

IFYMEZNJCAQUME-HHBFRJADSA-N

1 reference

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

(Q104253037)

(6S,7Ar)-2-[(2E,4E,6E,8E,10E,12E,14E,16E)-17-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol

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