deoxyshikonin
Chemical Formula:
C16H16O4
Molecular Weight:
272.3 Daltons
Monoisotopic Mass:
272.104859002 Daltons
SMILES:
CC(C)=CCCC1(=CC(C2(C(=CC=C(C(C1=O)=2)O)O))=O)
InChI:
1S/C16H16O4/c1-9(2)4-3-5-10-8-13(19)14-11(17)6-7-12(18)15(14)16(10)20/h4,6-8,17-18H,3,5H2,1-2H3
InChIKey:
Databases
MetaCyc:
CPD-9321
ChEBI:
81530
ChemSpider:
89341
KEGG:
C18133
PubChem (CID):
98914
Seed:
cpd19403
MetaNetX:
MNXM7276