astringin
Chemical Formula:
C20H22O9
Molecular Weight:
406.388 Daltons
Monoisotopic Mass:
406.12638230510004 Daltons
SMILES:
C(O)C3(C(O)C(O)C(O)C(OC2(C(C=CC1(C=CC(O)=C(O)C=1))=CC(O)=CC=2))O3)
InChI:
1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-6-4-12(22)8-11(15)3-1-10-2-5-13(23)14(24)7-10/h1-8,16-27H,9H2/b3-1+/t16-,17-,18+,19-,20-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-13764
PubChem (CID):
90658151
Seed:
cpd07134
ChEBI:
2899
MetaNetX:
MNXM16184
KEGG:
C10245