input word = C00008913

Metabolite InformationStructural formula
Name Potentillanin
Formula C42H46O22
Mw 902.24807316
CAS RN 118555-81-0
C_ID C00008913 ,
InChIKey VXDLCNYCLBNAQX-PKDIAKMFNA-N
InChICode InChI=1S/C42H46O22/c43-11-29-32(53)34(55)36(57)41(62-29)60-27-9-18-21(48)10-25(52)31(40(18)64-38(27)13-1-2-19(46)22(49)3-13)15-6-23(50)24(51)7-16(15)39-28(8-17-20(47)4-14(45)5-26(17)59-39)61-42-37(58)35(56)33(54)30(12-44)63-42/h1-7,10,27-30,32-39,41-58H,8-9,11-12H2/t27-,28+,29-,30+,32+,33+,34-,35-,36+,37-,38+,39+,41+,42-/m0/s1
SMILES c1(cc(c2c(c1c1cc(c(cc1[C@@H]1[C@@H](Cc3c(O1)cc(cc3O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O[C@@H]([C@H](C2)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O)c1ccc(c(c1)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRosaceaePotentilla viscosa Ref.
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