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CHEBI:227108 - (24E)-7alpha-methoxy-3-oxolanosta-8,24-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:227108
ChEBI Name(24E)-7alpha-methoxy-3-oxolanosta-8,24-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H48O4
Net Charge0
Average Mass484.721
Monoisotopic Mass484.35526
SMILESCO[C@@H]1C[C@H]2C(C)(C)C(=O)CC[C@]2(C)C2=C1[C@]1(C)CC[C@H]([C@H](C)CC/C=C(\C)C(=O)O)[C@@]1(C)CC2
InChIInChI=1S/C31H48O4/c1-19(10-9-11-20(2)27(33)34)21-12-17-31(7)26-22(13-16-30(21,31)6)29(5)15-14-25(32)28(3,4)24(29)18-23(26)35-8/h11,19,21,23-24H,9-10,12-18H2,1-8H3,(H,33,34)/b20-11+/t19-,21-,23-,24+,29-,30-,31+/m1/s1
InChIKeyHHUQHJBNJSLZJF-GBJMNYASSA-N
Species of MetaboliteComponentSourceComments
Ganodermaspecies BCC 16642 (ncbitaxon:1658744) - PubMed (26716912)
ChEBI Ontology
Outgoing Relation(s)
(24E)-7alpha-methoxy-3-oxolanosta-8,24-dien-26-oic acid (CHEBI:227108) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,6R)-6-[(5R,7R,10S,13R,14R,17R)-7-methoxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methylhept-2-enoic acid
Manual XrefsDatabases
78438864ChemSpider