input word = C00058610

Metabolite InformationStructural formula
Name Mudanpioside B
Formula C31H34O14
Mw 630.1948558
CAS RN 172705-23-6
C_ID C00058610
InChIKey LHEJRNPVSSZGLQ-KTTWJQJJSA-N
InChICode InChI=1S/C31H34O14/c1-29-13-30(38)20-18(11-40-25(36)14-3-7-16(32)8-4-14)31(29,21(20)27(43-29)44-30)45-28-24(35)23(34)22(33)19(42-28)12-41-26(37)15-5-9-17(39-2)10-6-15/h3-10,18-24,27-28,32-35,38H,11-13H2,1-2H3/t18-,19-,20-,21?,22-,23+,24-,27-,28+,29+,30-,31-/m1/s1
SMILES COc1ccc(C(=O)OC[C@H]2O[C@@H](O[C@]34C5[C@H]6O[C@](O)(C[C@]3(C)O6)[C@@H]5[C@H]4COC(=O)c3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)cc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePaeoniaceaePaeonia suffruticosa Ref.
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