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 C[C@@H]1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)/C=C/c5ccc(O)cc5)[C@@H](O)[C@H](O)[C@H]4O)c(-c4ccc(O)c(O)c4)oc3c2)[C@H](O)[C@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeOxytropis myriophylla Ref.
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