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CHEBI:220758 - 20-hydroxy-3,12,15,23-tetraoxolanosta-7,9(11),16-trien-26-oic acid

ChEBI IDCHEBI:220758
ChEBI Name20-hydroxy-3,12,15,23-tetraoxolanosta-7,9(11),16-trien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O7
Net Charge0
Average Mass510.627
Monoisotopic Mass510.26175
SMILESCC(CC(=O)CC(C)(O)C1=CC(=O)[C@@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)C3=CC(=O)[C@]12C)C(=O)O
InChIInChI=1S/C30H38O7/c1-16(25(35)36)12-17(31)15-28(5,37)21-14-24(34)29(6)18-8-9-20-26(2,3)22(32)10-11-27(20,4)19(18)13-23(33)30(21,29)7/h8,13-14,16,20,37H,9-12,15H2,1-7H3,(H,35,36)/t16?,20-,27+,28?,29+,30-/m0/s1
InChIKeyJFCYOZDABVWLAB-OGJFIDDRSA-N
Species of MetaboliteComponentSourceComments
Ganoderma australe (ncbitaxon:34457) - PubMed (28931319)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
20-hydroxy-3,12,15,23-tetraoxolanosta-7,9(11),16-trien-26-oic acid (CHEBI:220758) is a bile acid (CHEBI:3098)
IUPAC Name 
6-hydroxy-2-methyl-4-oxo-6-[(5R,10S,13R,14S)-4,4,10,13,14-pentamethyl-3,12,15-trioxo-1,2,5,6-tetrahydrocyclopenta[a]phenanthren-17-yl]heptanoic acid
Manual XrefsDatabases
78439559ChemSpider