CHEBI:80894 - Picrasin G

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ChEBI Name Picrasin G
ChEBI ID CHEBI:80894
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H28O7
Net Charge 0
Average Mass 392.44280
Monoisotopic Mass 392.18350
InChI InChI=1S/C21H28O7/c1-9-6-12(22)18(25)19(3)11(9)7-13-20(4)17(19)15(24)16(27-5)10(2)21(20,26)8-14(23)28-13/h9,11-13,17,22,26H,6-8H2,1-5H3/t9-,11+,12+,13-,17-,19+,20-,21-/m1/s1
InChIKey WUGDTWXOAUNOCM-NJECMDHZSA-N
SMILES COC1=C(C)[C@]2(O)CC(=O)O[C@@H]3C[C@H]4[C@H](C)C[C@H](O)C(=O)[C@]4(C)[C@@H](C1=O)[C@]23C
ChEBI Ontology
Outgoing Picrasin G (CHEBI:80894) is a triterpenoid (CHEBI:36615)
Manual Xref Database
C17054 KEGG COMPOUND
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Registry Number Type Source
35598-69-7 CAS Registry Number KEGG COMPOUND