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CHEBI:227408 - Applanoic acid C

ChEBI IDCHEBI:227408
ChEBI NameApplanoic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O7
Net Charge0
Average Mass510.627
Monoisotopic Mass510.26175
SMILESC/C(=C\C(=O)C[C@H](C)C(=O)O)C1=C[C@@H](O)[C@]2(C)[C@]1(C)C(=O)C=C1[C@]23O[C@H]3C[C@H]2C(C)(C)C(=O)CC[C@]12C
InChIInChI=1S/C30H38O7/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/h10,12-13,16,19,23-24,34H,8-9,11,14H2,1-7H3,(H,35,36)/b15-10+/t16-,19-,23+,24-,27-,28-,29+,30+/m0/s1
InChIKeySDURKWBYYPXCOI-MVJZUZMTSA-N
Species of MetaboliteComponentSourceComments
Ganoderma applanatum (ncbitaxon:29884) - PubMed (30390604)
ChEBI Ontology
Outgoing Relation(s)
Applanoic acid C (CHEBI:227408) is a steroid (CHEBI:35341)
IUPAC Name 
(E,2S)-6-[(1S,3S,5R,10S,14R,17R,18S)-17-hydroxy-6,6,10,14,18-pentamethyl-7,13-dioxo-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadeca-11,15-dien-15-yl]-2-methyl-4-oxohept-5-enoic acid