secologanin
Chemical Formula:
C17H24O10
Molecular Weight:
388.371 Daltons
Monoisotopic Mass:
388.1369469914 Daltons
SMILES:
C=C[CH]1(C(OC=C(C(=O)OC)[CH](C[CH]=O)1)OC2(OC(CO)C(O)C(O)C(O)2))
InChI:
1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1
InChIKey:
Synonyms
- (-)-secologanin
Databases
MetaCyc:
SECOLOGANIN-CPD
RefMet:
Secologanin
LIPID MAPS:
LMPR0102070002
ChemSpider:
141670
PubChem (CID):
161276
ChEBI:
18002
KEGG:
C01852
Seed:
cpd01275
MetaNetX:
MNXM823
CAS:
19351-63-4
PupChem (SID):
4969
CHEMBL:
CHEMBL1235867
KNApSAcK:
C00003098
PDB-CCD:
SCG
NIKKAJI:
J15.538A