barbaloin
Chemical Formula:
C21H22O9
Molecular Weight:
418.399 Daltons
Monoisotopic Mass:
418.12638230510004 Daltons
SMILES:
C(O)C1(=CC3(=C(C(O)=C1)C(=O)C4(C(C(C2(C(O)C(O)C(O)C(CO)O2))3)=CC=CC(O)=4)))
InChI:
1S/C21H22O9/c22-6-8-4-10-14(21-20(29)19(28)17(26)13(7-23)30-21)9-2-1-3-11(24)15(9)18(27)16(10)12(25)5-8/h1-5,13-14,17,19-26,28-29H,6-7H2/t13?,14-,17?,19?,20?,21?/m1/s1
InChIKey:
Synonyms
- aloin A
Databases
MetaCyc:
CPD-11590
ChemSpider:
4572776
PubChem (CID):
5458893
Seed:
cpd07194
HMDB:
HMDB35219
MetaNetX:
MNXM723581
KEGG:
C10305