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CHEBI:227559 - Applanoxidic acid A

Default Structure
ChEBI IDCHEBI:227559
ChEBI NameApplanoxidic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O7
Net Charge0
Average Mass512.643
Monoisotopic Mass512.27740
SMILESC/C(=C\C(=O)CC(C)C(=O)O)[C@H]1C[C@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3C[C@H]3O[C@@]132
InChIInChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)25(35)36)18-12-23(34)29(7)28(18,6)22(33)13-20-27(5)9-8-21(32)26(3,4)19(27)14-24-30(20,29)37-24/h10,13,16,18-19,23-24,34H,8-9,11-12,14H2,1-7H3,(H,35,36)/b15-10+/t16?,18-,19+,23+,24-,27+,28+,29-,30+/m1/s1
InChIKeyFGUBEKCWBCCEIB-NDKBUZNXSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - DOI (10.1016/0031-9422(91)83476-2)
ChEBI Ontology
Outgoing Relation(s)
Applanoxidic acid A (CHEBI:227559) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E)-6-[(1R,3R,5R,10S,14R,15R,17S,18S)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadec-11-en-15-yl]-2-methyl-4-oxohept-5-enoic acid
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9930859ChemSpider