input word = C00005234

Metabolite InformationStructural formula
Name Kaempferol 3-gentiobioside-7-rhamnoside
Kaempferol 3-glucoside-(1->6)-glucoside-7-alpha-L-rhamnoside
7-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-3-[(6-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
Formula C33H40O20
Mw 756.21129372
CAS RN 173740-43-7
C_ID C00005234 ,
InChIKey QFSDWLPMRWDFID-RLICDNCFNA-N
InChICode InChI=1S/C33H40O20/c1-10-19(37)23(41)27(45)32(48-10)49-13-6-14(36)18-15(7-13)50-29(11-2-4-12(35)5-3-11)30(22(18)40)53-33-28(46)25(43)21(39)17(52-33)9-47-31-26(44)24(42)20(38)16(8-34)51-31/h2-7,10,16-17,19-21,23-28,31-39,41-46H,8-9H2,1H3/t10-,16+,17+,19-,20+,21+,23-,24-,25-,26+,27+,28+,31+,32-,33-/m0/s1
SMILES CC1O[C@@H](Oc2cc(O)c3c(=O)c(O[C@@H]4OC(CO[C@@H]5OC(CO)[C@@H](O)[C@H](O)C5O)[C@@H](O)C(O)C4O)c(-c4ccc(O)cc4)oc3c2)C(O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCruciferaeArabidopsis thaliana Ref.
PlantaePhyllanthaceaeSauropus androgynus Ref.
PlantaeTrilliaceaeParis polyphylla Ref.
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