input word = C00032042

Metabolite InformationStructural formula
Name Myriophylloside B
(-)-Myriophylloside B
Formula C41H44O22
Mw 888.23242309
CAS RN 723334-70-1
C_ID C00032042 ,
InChIKey NFVVBGRTSOUXPW-GEIRTYOSNA-N
InChICode InChI=1S/C41H44O22/c1-15-28(48)32(52)34(54)39(58-15)59-19-11-22(45)27-24(12-19)60-36(17-5-8-20(43)21(44)10-17)37(31(27)51)62-41-38(29(49)23(46)13-57-41)63-40-35(55)33(53)30(50)25(61-40)14-56-26(47)9-4-16-2-6-18(42)7-3-16/h2-12,15,23,25,28-30,32-35,38-46,48-50,52-55H,13-14H2,1H3/b9-4+/t15-,23-,25+,28-,29-,30+,32+,33-,34+,35+,38-,39-,40-,41-/m0/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@H]([C@H]([C@H](CO1)O)O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/c1ccc(cc1)O)c1ccc(c(c1)O)O)O)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOxytropis myriophylla Ref.
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OrganismOxytropis myriophylla
ReferenceLu,Chem.Pharm.Bull.,54,(2004),276