input word = C00005235

Metabolite InformationStructural formula
Name Kaempferol 3-gentiobioside-7-glucuronide
Formula C33H38O22
Mw 786.1854729
CAS RN 134981-91-2
C_ID C00005235 ,
InChIKey HZCNCLFUJBVGLK-QDHFEZDDNA-N
InChICode InChI=1S/C33H38O22/c34-7-14-17(37)20(40)24(44)31(52-14)49-8-15-18(38)21(41)25(45)33(53-15)54-28-19(39)16-12(36)5-11(6-13(16)51-27(28)9-1-3-10(35)4-2-9)50-32-26(46)22(42)23(43)29(55-32)30(47)48/h1-6,14-15,17-18,20-26,29,31-38,40-46H,7-8H2,(H,47,48)/t14-,15-,17-,18-,20+,21-,22+,23+,24+,25+,26-,29+,31-,32-,33+/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)CO)O)O)O)O)O)O)c1ccc(cc1)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLiliaceaeTulipa gesneriana Ref.
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