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CHEBI:215183 - Ganocasuarin D

Default Structure
ChEBI IDCHEBI:215183
ChEBI NameGanocasuarin D
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC32H44O9
Net Charge0
Average Mass572.695
Monoisotopic Mass572.29853
SMILESCC(=O)O[C@H]1CC[C@]2(C)C3=CC(=O)[C@]4(C)[C@@H](C(C)(O)CC(=O)CC(C)C(=O)O)CC(=O)[C@@]4(C)[C@@]34O[C@H]4C[C@H]2C1(C)C
InChIInChI=1S/C32H44O9/c1-16(26(37)38)11-18(34)15-29(6,39)21-13-23(36)31(8)30(21,7)22(35)12-20-28(5)10-9-24(40-17(2)33)27(3,4)19(28)14-25-32(20,31)41-25/h12,16,19,21,24-25,39H,9-11,13-15H2,1-8H3,(H,37,38)/t16?,19-,21+,24-,25-,28-,29?,30-,31+,32+/m0/s1
InChIKeyYPCGQXHQGIIWGP-WEHRSCLWSA-N
Species of MetaboliteComponentSourceComments
Ganoderma casuarinicola (ncbitaxon:2057914) - PubMed (31855780)
ChEBI Ontology
Outgoing Relation(s)
Ganocasuarin D (CHEBI:215183) is a triterpenoid (CHEBI:36615)
IUPAC Name 
6-[(1S,3S,5R,7S,10S,14R,15S,18R)-7-acetyloxy-6,6,10,14,18-pentamethyl-13,17-dioxo-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-en-15-yl]-6-hydroxy-2-methyl-4-oxoheptanoic acid