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:

CSKKDSFETGLMSB-NRZPKYKESA-N

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