input word = C00005254

Metabolite InformationStructural formula
Name Kaempferol 3-isorhamninoside-7-rhamnoside
Formula C39H50O23
Mw 886.27428791
CAS RN 123479-26-5
C_ID C00005254 ,
InChIKey MFMPPIGSYYTBKG-BUNSSRQVNA-N
InChICode InChI=1S/C39H50O23/c1-11-21(42)25(46)29(50)37(55-11)58-16-8-17(41)20-18(9-16)59-34(14-4-6-15(40)7-5-14)35(24(20)45)62-39-31(52)27(48)23(44)19(60-39)10-54-36-32(53)28(49)33(13(3)57-36)61-38-30(51)26(47)22(43)12(2)56-38/h4-9,11-13,19,21-23,25-33,36-44,46-53H,10H2,1-3H3/t11-,12+,13-,19-,21-,22-,23-,25-,26-,27+,28+,29+,30+,31-,32-,33?,36+,37-,38-,39-/m0/s1
SMILES [C@@H]1([C@@H]([C@@H]([C@@H]([C@@H](O1)OC[C@@H]1O[C@H]([C@H]([C@@H]([C@H]1O)O)O)Oc1c(=O)c2c(cc(cc2oc1c1ccc(cc1)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeVigna luteola Ref.
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