(Q63409127)

English

(5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2-one

chemical compound

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instance of

type of chemical entity

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subclass of

3-(2-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}ethenyl)-5-[11-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,9-dimethylundeca-2,4,6,8-tetraen-10-yn-1-ylidene]furan-2-one

1 reference

based on heuristic

inferred from SMILES

3-(2-{4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl}ethenyl)-5-[(4E,6E,8E)-11-(4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl)-2,9-dimethylundeca-2,4,6,8-tetraen-10-yn-1-ylidene]furan-2-one

1 reference

1 reference

570.334524572 dalton

1 reference

based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₇H₄₆O₅

0 references

canonical SMILES

O=C1OC(C=C1C=CC23OC3(C)CC(O)CC2(C)C)=CC(=CC=CC=CC=C(C#CC4=C(C)CC(O)CC4(C)C)C)C

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isomeric SMILES

CC1=C(C(C[C@@H](C1)O)(C)C)C#C/C(=C/C=C/C=C/C=C(\C)/C=C\2/C=C(C(=O)O2)/C=C/[C@]34[C@](O3)(C[C@H](CC4(C)C)O)C)/C

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found in taxon

Corbicula japonica

2 references

stated in

Carotenoids in three species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam).

stated in

Carotenoids in three species of Corbicula Clams, Corbicula japonica, Corbicula sandai, and Corbicula sp. (Chinese Freshwater Corbicula Clam).

Mytilus coruscus

1 reference

stated in

A New Apocarotenoid from the Marine ShellfishMytilus coruscus

Mytilus unguiculatus

1 reference

stated in

A New Apocarotenoid from the Marine ShellfishMytilus coruscus

Crassostrea gigas

1 reference

stated in

Structures of five new carotenoids from the oyster Crassostrea gigas

Magallana gigas

1 reference

stated in

Structures of five new carotenoids from the oyster Crassostrea gigas

Identifiers

InChI

InChI=1S/C37H46O5/c1-25(15-16-32-27(3)20-29(38)22-34(32,4)5)13-11-9-10-12-14-26(2)19-31-21-28(33(40)41-31)17-18-37-35(6,7)23-30(39)24-36(37,8)42-37/h9-14,17-19,21,29-30,38-39H,20,22-24H2,1-8H3/b11-9+,12-10+,18-17+,25-13+,26-14+,31-19-/t29-,30+,36-,37+/m1/s1

0 references

InChIKey

JPHOIGCQEIPBBI-RHYXJIAFSA-N

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CAS Registry Number

54369-11-8

1 reference

stated in

CAS (formerly Chemical Abstracts Service)

retrieved

25 January 2022

PubChem CID

134741793

1 reference

matched by identifier from

InChIKey

JPHOIGCQEIPBBI-RHYXJIAFSA-N

1 reference

MassBank accession ID

MSBNK-Kyoto_Univ-CA000097

0 references

DSSTox substance ID

DTXSID001098105

1 reference

matched by identifier from

InChIKey

JPHOIGCQEIPBBI-RHYXJIAFSA-N

1 reference

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

retrieved

15 January 2022

InChIKey

JPHOIGCQEIPBBI-RHYXJIAFSA-N

(Q63409127)

(5Z)-5-[(2E,4E,6E,8E)-11-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-2,9-dimethylundeca-2,4,6,8-tetraen-10-ynylidene]-3-[(E)-2-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]ethenyl]furan-2-one

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