(Q105246371)

English

(3E,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-1-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-7,12,16-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

chemical compound

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Statements

instance of

type of chemical entity

0 references

subclass of

carotenoid

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mass

600.417860272 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₄₀H₅₆O₄

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canonical SMILES

O=C(C(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CC(O)CC1(C)C)C)C)C)CO)CC2=C(C)CC(O)CC2(C)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(\CO)C(=O)CC2=C(C)C[C@@H](O)CC2(C)C)C(C)(C)C[C@@H](O)C1

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found in taxon

Avrainvillea nigricans

1 reference

stated in

Avrainvilloside, a 6-deoxy-6-aminoglucoglycerolipid from the green alga Avrainvillea nigricans

Identifiers

InChI

InChI=1S/C40H56O4/c1-28(16-12-17-30(3)20-21-36-31(4)22-34(42)25-39(36,6)7)14-10-11-15-29(2)18-13-19-33(27-41)38(44)24-37-32(5)23-35(43)26-40(37,8)9/h10-21,34-35,41-43H,22-27H2,1-9H3/b11-10+,16-12+,18-13+,21-20+,28-14+,29-15+,30-17+,33-19+/t34-,35+/m0/s1

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InChIKey

RVXBMLAOKWPTTD-FXECFGPESA-N

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2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

RVXBMLAOKWPTTD-FXECFGPESA-N

(Q105246371)

(3E,5E,7E,9E,11E,13E,15E,17E)-3-(hydroxymethyl)-1-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-18-[(4S)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-7,12,16-trimethyloctadeca-3,5,7,9,11,13,15,17-octaen-2-one

Statements

Identifiers

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