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CHEBI:205465 - Zhankuic acid E

ChEBI IDCHEBI:205465
ChEBI NameZhankuic acid E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC31H46O6
Net Charge0
Average Mass514.703
Monoisotopic Mass514.32944
SMILESC=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)[C@H](O)[C@]12C)[C@@]1(C)CC[C@@H](O)[C@@H](C)C1CC3=O)C(C)C(=O)OCC
InChIInChI=1S/C31H46O6/c1-8-37-29(36)18(4)16(2)9-10-17(3)20-11-12-21-25-24(33)15-22-19(5)23(32)13-14-30(22,6)26(25)27(34)28(35)31(20,21)7/h17-23,28,32,35H,2,8-15H2,1,3-7H3/t17-,18?,19+,20-,21+,22?,23-,28+,30+,31-/m1/s1
InChIKeyXDRFZKIBQDVXQH-MGPWTPMBSA-N
Species of MetaboliteComponentSourceComments
Antrodia (ncbitaxon:40415) - DOI (10.1016/0031-9422(95)00767-9)
ChEBI Ontology
Outgoing Relation(s)
Zhankuic acid E (CHEBI:205465) is a cholanoid (CHEBI:36078)
IUPAC Name 
ethyl (6R)-6-[(3R,4S,10S,12R,13R,14R,17R)-3,12-dihydroxy-4,10,13-trimethyl-7,11-dioxo-2,3,4,5,6,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoate
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