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CHEBI:226739 - Ganocolobetausin A

ChEBI IDCHEBI:226739
ChEBI NameGanocolobetausin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O6
Net Charge0
Average Mass524.698
Monoisotopic Mass524.31379
SMILESCC(=O)O[C@@H](CC=C(C)C(=O)O)[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C=C4C=CC(=O)OC(C)(C)[C@@H]4CC3)CC[C@]12C
InChIInChI=1S/C32H44O6/c1-19(29(35)36)8-12-27(37-21(3)33)20(2)24-15-17-32(7)26-11-10-25-22(9-13-28(34)38-30(25,4)5)18-23(26)14-16-31(24,32)6/h8-9,13,18,20,24-25,27H,10-12,14-17H2,1-7H3,(H,35,36)/t20-,24+,25+,27-,31+,32-/m0/s1
InChIKeyDSPYYNFPQSYRER-XHCMJWLRSA-N
Species of MetaboliteComponentSourceComments
Ganoderma colossus (ncbitaxon:36070) - PubMed (32639735)
ChEBI Ontology
Outgoing Relation(s)
Ganocolobetausin A (CHEBI:226739) is a sesterterpenoid (CHEBI:26660)
IUPAC Name 
(5S,6S)-5-acetyloxy-2-methyl-6-[(9R,13R,16R,17R)-8,8,13,17-tetramethyl-6-oxo-7-oxatetracyclo[10.7.0.03,9.013,17]nonadeca-1(12),2,4-trien-16-yl]hept-2-enoic acid