secologanate
Chemical Formula:
C16H21O10
Molecular Weight:
373.336 Daltons
Monoisotopic Mass:
374.1212969272 Daltons
SMILES:
C=C[CH]1(C(OC=C(C(=O)[O-])[CH](C[CH]=O)1)OC2(OC(CO)C(O)C(O)C(O)2))
InChI:
1S/C16H22O10/c1-2-7-8(3-4-17)9(14(22)23)6-24-15(7)26-16-13(21)12(20)11(19)10(5-18)25-16/h2,4,6-8,10-13,15-16,18-21H,1,3,5H2,(H,22,23)/p-1/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
InChIKey:
Synonyms
- secologanic acid
Databases
MetaCyc:
SECOLOGANATE
RefMet:
Secologanate
KEGG:
C01957
Seed:
cpd01344
MetaNetX:
MNXM5297
ChEBI:
9075