CHEBI:80892 - Picrasin E

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ChEBI Name Picrasin E
ChEBI ID CHEBI:80892
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H30O7
Net Charge 0
Average Mass 406.46940
Monoisotopic Mass 406.19915
InChI InChI=1S/C22H30O7/c1-10-6-13(26-5)19(24)20(3)12(10)7-14-21(4)18(20)17-16(27-9-28-17)11(2)22(21,25)8-15(23)29-14/h6,10-12,14,16-18,25H,7-9H2,1-5H3/t10-,11+,12+,14-,16+,17-,18-,20+,21-,22-/m1/s1
InChIKey MPKJVOULXZBGDT-ATNJLCLCSA-N
SMILES COC1=C[C@@H](C)[C@@H]2C[C@H]3OC(=O)C[C@@]4(O)[C@@H](C)[C@@H]5OCO[C@H]5[C@H]([C@@]2(C)C1=O)[C@@]34C
ChEBI Ontology
Outgoing Picrasin E (CHEBI:80892) is a triterpenoid (CHEBI:36615)
Manual Xref Database
C17052 KEGG COMPOUND
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Registry Number Type Source
33204-38-5 CAS Registry Number KEGG COMPOUND