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CHEBI:199554 - Ganotropic acid

Default Structure
ChEBI IDCHEBI:199554
ChEBI NameGanotropic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H44O7
Net Charge0
Average Mass516.675
Monoisotopic Mass516.30870
SMILESCC1C[C@]2(C[C@@H](C)[C@]3(C[C@H](O)[C@@]4(C)C5=C(C(=O)C[C@]34C)[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@@H]5O)O2)OC1=O
InChIInChI=1S/C30H44O7/c1-15-11-29(36-24(15)35)12-16(2)30(37-29)14-21(34)28(7)23-17(31)10-19-25(3,4)20(33)8-9-26(19,5)22(23)18(32)13-27(28,30)6/h15-17,19-21,31,33-34H,8-14H2,1-7H3/t15?,16-,17+,19+,20+,21+,26+,27+,28+,29+,30+/m1/s1
InChIKeyKYHKPCGXLKZMBU-YZYPORCTSA-N
Species of MetaboliteComponentSourceComments
Ganoderma tropicum (ncbitaxon:36077) - PubMed (25690289)
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
Ganotropic acid (CHEBI:199554) is a withanolide (CHEBI:74716)
Manual XrefsDatabases
78440778ChemSpider