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CHEBI:219724 - 3,11,15,23-tetraoxo-27xi-lanosta-8,16-dien-26-oic acid

Default Structure
ChEBI IDCHEBI:219724
ChEBI Name3,11,15,23-tetraoxo-27xi-lanosta-8,16-dien-26-oic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O7
Net Charge0
Average Mass512.643
Monoisotopic Mass512.27740
SMILESCC(CC(=O)C[C@@H](C)C1=CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O
InChIInChI=1S/C30H40O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h12,15-16,19,21,32H,8-11,13-14H2,1-7H3,(H,36,37)/t15-,16?,19+,21+,28+,29-,30+/m1/s1
InChIKeyYBFMHFRKIFVPJA-LRGPFVJBSA-N
Species of MetaboliteComponentSourceComments
Taiwanofungus camphoratus (ncbitaxon:2696576) - PubMed (23517145)
ChEBI Ontology
Outgoing Relation(s)
3,11,15,23-tetraoxo-27xi-lanosta-8,16-dien-26-oic acid (CHEBI:219724) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(6R)-6-[(5R,7S,10S,13R,14R)-7-hydroxy-4,4,10,13,14-pentamethyl-3,11,15-trioxo-1,2,5,6,7,12-hexahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
Manual XrefsDatabases
29420061ChemSpider