input word = C00005585

Metabolite InformationStructural formula
Name Isorhamnetin 3-rutinoside-4'-rhamnoside
Formula C34H42O20
Mw 770.22694379
CAS RN 81053-13-6
C_ID C00005585 ,
InChIKey YJJATMIYFDTODI-RUDVXNKONA-N
InChICode InChI=1S/C34H42O20/c1-10-20(37)24(41)27(44)32(49-10)48-9-18-22(39)26(43)29(46)34(53-18)54-31-23(40)19-14(36)7-13(35)8-17(19)51-30(31)12-4-5-15(16(6-12)47-3)52-33-28(45)25(42)21(38)11(2)50-33/h4-8,10-11,18,20-22,24-29,32-39,41-46H,9H2,1-3H3/t10-,11-,18-,20+,21+,22+,24+,25+,26-,27-,28+,29-,32-,33+,34+/m1/s1
SMILES c1(cc(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O)O)O)c1ccc(c(c1)OC)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCucurbitaceaeCucurbita pepo Ref.
PlantaeCucurbitaceaeCucurbita sp. Ref.
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