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CHEBI:181915 - Crassostreaxanthin A

ChEBI IDCHEBI:181915
ChEBI NameCrassostreaxanthin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H54O4
Net Charge0
Average Mass598.868
Monoisotopic Mass598.40221
SMILESCC(=O)C[C@H]1C[C@@H](C)[C@](C)(CC(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC2=C(C)C[C@@H](O)CC2(C)C)O1
InChIInChI=1S/C40H54O4/c1-28(17-13-18-30(3)21-22-37-32(5)23-35(42)26-39(37,8)9)15-11-12-16-29(2)19-14-20-31(4)38(43)27-40(10)33(6)24-36(44-40)25-34(7)41/h11-20,33,35-36,42H,23-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+/t33-,35-,36-,40+/m1/s1
InChIKeyKFNGKYUGHHQDEE-AXWOCEAUSA-N
ChEBI Ontology
Outgoing Relation(s)
Crassostreaxanthin A (CHEBI:181915) is a diterpene glycoside (CHEBI:71939)
IUPAC Name 
(3E,5E,7E,9E,11E,13E,15E)-1-[(2S,3R,5R)-2,3-dimethyl-5-(2-oxopropyl)oxolan-2-yl]-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaen-17-yn-2-one
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