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CHEBI:226898 - 23S-hydroxy-3,7,11,15-tetraoxo-lanost-8,24E-diene-26-oicacid

Default Structure
ChEBI IDCHEBI:226898
ChEBI Name23S-hydroxy-3,7,11,15-tetraoxo-lanost-8,24E-diene-26-oicacid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC30H40O7
Net Charge0
Average Mass512.643
Monoisotopic Mass512.27740
SMILESC/C(=C\[C@@H](O)C[C@@H](C)[C@H]1CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3=O)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/h11,15,17-18,21,31H,8-10,12-14H2,1-7H3,(H,36,37)/b16-11+/t15-,17+,18-,21+,28+,29-,30+/m1/s1
InChIKeyPILMPTUAXYPAME-KKYGLDRZSA-N
Species of MetaboliteComponentSourceComments
Ganoderma lucidum (ncbitaxon:5315) - PubMed (18696320)
ChEBI Ontology
Outgoing Relation(s)
23S-hydroxy-3,7,11,15-tetraoxo-lanost-8,24E-diene-26-oicacid (CHEBI:226898) is a triterpenoid (CHEBI:36615)
IUPAC Name 
(E,4S,6R)-4-hydroxy-2-methyl-6-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3,7,11,15-tetraoxo-2,5,6,12,16,17-hexahydro-1H-cyclopenta[a]phenanthren-17-yl]hept-2-enoic acid
Manual XrefsDatabases
28645900ChemSpider