(Q63409415)

English

(4S,6E,10E,12E,14E,16E,18E,20E,22E)-4-hydroxy-25-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,7,10,14,19,23-hexamethylpentacosa-6,10,12,14,16,18,20,22-octaen-24-yne-2,9-dione

chemical compound

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instance of

type of chemical entity

0 references

subclass of

4-Hydroxy-25-(4-hydroxy-2,6,6-trimethylcyclohexen-1-yl)-6,7,10,14,19,23-hexamethylpentacosa-6,10,12,14,16,18,20,22-octaen-24-yne-2,9-dione

1 reference

based on heuristic

inferred from SMILES

mass

598.402210208 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(3R,3'R)-Crassostreaxanthin B

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

chemical formula

C₄₀H₅₄O₄

0 references

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)C)CC(=C(C)CC(O)CC(=O)C)C

0 references

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)/C=C/C=C(\C)/C(=O)C/C(=C(\C)/C[C@@H](CC(=O)C)O)/C)/C)/C

0 references

found in taxon

Crassostrea gigas

2 references

stated in

Crassostreaxanthins A and B, novel marine carotenoids from the oyster

stated in

Structures of five new carotenoids from the oyster Crassostrea gigas

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

Meretrix petechialis

1 reference

stated in

Carotenoids in clams, Ruditapes philippinarum and Meretrix petechialis

Identifiers

InChI

InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-38-34(7)24-37(43)27-40(38,9)10)15-11-12-16-29(2)19-14-20-31(4)39(44)25-33(6)32(5)23-36(42)26-35(8)41/h11-20,36-37,42-43H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,33-32+/t36-,37+/m0/s1

0 references

InChIKey

LGLPDUBVWXHHHU-ZCJJJFIZSA-N

0 references

PubChem CID

10603629

1 reference

matched by identifier from

InChIKey

LGLPDUBVWXHHHU-ZCJJJFIZSA-N

ChEBI ID

181812

mapping relation type

exact match

2 references

stated in

ChEBI release 2022-06-13

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-38-34(7)24-37(43)27-40(38,9)10)15-11-12-16-29(2)19-14-20-31(4)39(44)25-33(6)32(5)23-36(42)26-35(8)41/h11-20,36-37,42-43H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,33-32+/t36-,37+/m0/s1

1 reference

MassBank accession ID

MSBNK-Kyoto_Univ-CA000148

0 references

(Q63409415)

(4S,6E,10E,12E,14E,16E,18E,20E,22E)-4-hydroxy-25-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-6,7,10,14,19,23-hexamethylpentacosa-6,10,12,14,16,18,20,22-octaen-24-yne-2,9-dione

Statements

Identifiers

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