stipitaldehyde
Chemical Formula:
C9H8O4
Molecular Weight:
180.16 Daltons
Monoisotopic Mass:
180.0422587452 Daltons
SMILES:
CC1(=C([CH]=O)C(O)=CC(=O)C(O)=C1)
InChI:
1S/C9H8O4/c1-5-2-8(12)9(13)3-7(11)6(5)4-10/h2-4,11H,1H3,(H,12,13)
InChIKey:
Synonyms
- 4,7-dihydroxy-2-methyl-5-oxocyclohepta-1,3,6-triene-1-carbaldehyde
Databases
MetaCyc:
CPD-18148
MetaNetX:
MNXM165164