EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:215176 - Ganocasuarin C

Default Structure
ChEBI IDCHEBI:215176
ChEBI NameGanocasuarin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H42O8
Net Charge0
Average Mass530.658
Monoisotopic Mass530.28797
SMILESCC(CC(=O)CC(C)(O)[C@H]1CC(=O)[C@@]2(C)[C@]34O[C@H]3C[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)C4=CC(=O)[C@]12C)C(=O)O
InChIInChI=1S/C30H42O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11,15,17,19-20,23,32,37H,8-10,12-14H2,1-7H3,(H,35,36)/t15?,17-,19+,20-,23-,26-,27?,28-,29+,30+/m0/s1
InChIKeyAGBNSHKQWMXXPZ-YWKLOIPMSA-N
Species of MetaboliteComponentSourceComments
Ganoderma casuarinicola (ncbitaxon:2057914) - PubMed (31855780)
ChEBI Ontology
Outgoing Relation(s)
Ganocasuarin C (CHEBI:215176) is a triterpenoid (CHEBI:36615)
IUPAC Name 
6-hydroxy-6-[(1S,3S,5R,7S,10S,14R,15S,18R)-7-hydroxy-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]-2-methyl-4-oxoheptanoic acid