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CHEBI:176132 - Anhydroamarouciaxanthin B

Default Structure
ChEBI IDCHEBI:176132
ChEBI NameAnhydroamarouciaxanthin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC40H50O3
Net Charge0
Average Mass578.837
Monoisotopic Mass578.37600
SMILESCC1=CC(=O)CC(C)(C)/C1=C/C(=O)/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(\C)C#CC1=C(C)C[C@@H](O)CC1(C)C
InChIInChI=1S/C40H50O3/c1-28(17-13-18-30(3)21-22-36-32(5)23-34(41)26-39(36,7)8)15-11-12-16-29(2)19-14-20-31(4)38(43)25-37-33(6)24-35(42)27-40(37,9)10/h11-20,24-25,34,41H,23,26-27H2,1-10H3/b12-11+,17-13+,19-14+,28-15+,29-16+,30-18+,31-20+,37-25+/t34-/m1/s1
InChIKeyVLTTXUMXZICUTM-ZLWQBILCSA-N
ChEBI Ontology
Outgoing Relation(s)
Anhydroamarouciaxanthin B (CHEBI:176132) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(4Z)-4-[(3E,5E,7E,9E,11E,13E,15E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyl-2-oxooctadeca-3,5,7,9,11,13,15-heptaen-17-ynylidene]-3,5,5-trimethylcyclohex-2-en-1-one
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