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CHEBI:218956 - Gloeophyllic acid A

Default Structure
ChEBI IDCHEBI:218956
ChEBI NameGloeophyllic acid A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC29H48O5
Net Charge0
Average Mass476.698
Monoisotopic Mass476.35017
SMILESCOC(CC[C@@H](C(=O)O)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3)OC
InChIInChI=1S/C29H48O5/c1-26(2)22-10-9-21-20(27(22,3)15-14-23(26)30)13-17-28(4)19(12-16-29(21,28)5)18(25(31)32)8-11-24(33-6)34-7/h18-19,22-24,30H,8-17H2,1-7H3,(H,31,32)/t18-,19-,22+,23+,27-,28-,29+/m1/s1
InChIKeyBKYXFMBVCZTLAT-WNBOPUNHSA-N
Species of MetaboliteComponentSourceComments
Fomitopsis pinicola (ncbitaxon:40483) - DOI (10.1016/s0031-9422(00)00165-5)
ChEBI Ontology
Outgoing Relation(s)
Gloeophyllic acid A (CHEBI:218956) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(2R)-2-[(3S,5R,10S,13R,14R,17R)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-5,5-dimethoxypentanoic acid
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78442719ChemSpider