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CHEBI:209415 - Applanoxidic acid B

ChEBI IDCHEBI:209415
ChEBI NameApplanoxidic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H38O8
Net Charge0
Average Mass526.626
Monoisotopic Mass526.25667
SMILESCC(CC(=O)CC(C)(O)C1=CC(=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)C(=O)O
InChIInChI=1S/C30H38O8/c1-15(24(35)36)10-16(31)14-27(5,37)19-12-22(34)29(7)28(19,6)21(33)11-18-26(4)9-8-20(32)25(2,3)17(26)13-23-30(18,29)38-23/h11-12,15,17,23,37H,8-10,13-14H2,1-7H3,(H,35,36)/t15?,17-,23+,26-,27?,28-,29+,30-/m0/s1
InChIKeyLZUGLYPIDYYQJP-YUVIQOKKSA-N
Species of MetaboliteComponentSourceComments
Ganoderma annulare (ncbitaxon:1200333) - DOI (10.1016/0031-9422(91)83476-2)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Applanoxidic acid B (CHEBI:209415) is a bile acid (CHEBI:3098)
IUPAC Name 
6-hydroxy-2-methyl-4-oxo-6-[(1R,3R,5R,10S,14R,18R)-6,6,10,14,18-pentamethyl-7,13,17-trioxo-2-oxapentacyclo[9.7.0.01,3.05,10.014,18]octadeca-11,15-dien-15-yl]heptanoic acid
Manual XrefsDatabases
8431815ChemSpider