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CHEBI:176291 - 7-Epizucchini factor A

ChEBI IDCHEBI:176291
ChEBI Name7-Epizucchini factor A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC44H59NO5
Net Charge0
Average Mass681.958
Monoisotopic Mass681.43932
SMILESCC1(COC(=O)c2ccccc2)CCC2(C)CCC3(C)C4=C(CCC3(C)C2C1)C1(C)CCC(OC(=O)c2ccc(N)cc2)C(C)(C)C1CC4O
InChIInChI=1S/C44H59NO5/c1-39(2)33-25-32(46)36-31(42(33,5)19-18-35(39)50-38(48)29-13-15-30(45)16-14-29)17-20-43(6)34-26-40(3,21-22-41(34,4)23-24-44(36,43)7)27-49-37(47)28-11-9-8-10-12-28/h8-16,32-35,46H,17-27,45H2,1-7H3
InChIKeyPRAFKBSUIBLSSV-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
7-Epizucchini factor A (CHEBI:176291) is a benzoate ester (CHEBI:36054)
IUPAC Name 
[11-(benzoyloxymethyl)-6-hydroxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-yl] 4-aminobenzoate
Manual XrefsDatabases
35014140ChemSpider
HMDB0036405HMDB