Picrasin G (CHEBI:80894)

CHEBI:80894 - Picrasin G

Formula	C21H28O7
Net Charge	0
Average Mass	392.448
Monoisotopic Mass	392.18350
SMILES	[H][C@@]12C(=O)C(OC)=C(C)[C@]3(O)CC(=O)O[C@]([H])(C[C@@]4([H])[C@H](C)C[C@H](O)C(=O)[C@]14C)[C@]23C
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

ChEBI Ontology

Outgoing Relation(s)
	Picrasin G (CHEBI:80894) is a triterpenoid (CHEBI:36615)

Manual Xrefs	Databases
C17054	KEGG COMPOUND

Registry Numbers	Sources
CAS:35598-69-7	KEGG COMPOUND