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CHEBI:231469 - 7-acetyl-epi-neemfruitin B

ChEBI IDCHEBI:231469
ChEBI Name7-acetyl-epi-neemfruitin B
Stars
ASCII Name7-acetyl-epi-neemfruitin B
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC34H48O7
Net Charge0
Average Mass568.751
Monoisotopic Mass568.34000
SMILES[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)C(=O)C=C[C@]21C
InChIInChI=1S/C34H48O7/c1-18(35)38-27-17-25-30(3,4)26(37)13-15-33(25,8)24-12-14-32(7)21(10-11-23(32)34(24,27)9)20-16-22(28-31(5,6)41-28)40-29(20)39-19(2)36/h11,13,15,20-22,24-25,27-29H,10,12,14,16-17H2,1-9H3/t20-,21-,22+,24+,25-,27+,28-,29+,32-,33+,34-/m0/s1
InChIKeyZTCBOAIWPIKLEJ-ADERUJBPSA-N
ChEBI Ontology
Outgoing Relation(s)
7-acetyl-epi-neemfruitin B (CHEBI:231469) is a acetate ester (CHEBI:47622)
7-acetyl-epi-neemfruitin B (CHEBI:231469) is a epoxide (CHEBI:32955)
7-acetyl-epi-neemfruitin B (CHEBI:231469) is a organic heterohexacyclic compound (CHEBI:51914)
7-acetyl-epi-neemfruitin B (CHEBI:231469) is a tetracyclic triterpenoid (CHEBI:26893)
UniProt Name  Source
7-acetyl-epi-neemfruitin BUniProt
Citations