input word = C00005649

Metabolite InformationStructural formula
Name Patuletin 3,7-dirhamnoside
Formula C28H32O16
Mw 624.16903498
CAS RN 78468-41-4
C_ID C00005649 ,
InChIKey OFWABIAFTFHEHK-WJTAHNBLNA-N
InChICode InChI=1S/C28H32O16/c1-8-16(31)20(35)22(37)27(40-8)43-14-7-13-15(18(33)25(14)39-3)19(34)26(24(42-13)10-4-5-11(29)12(30)6-10)44-28-23(38)21(36)17(32)9(2)41-28/h4-9,16-17,20-23,27-33,35-38H,1-3H3/t8-,9-,16-,17-,20-,21-,22+,23-,27-,28-/m0/s1
SMILES COc1c(O[C@@H]2OC(C)[C@H](O)[C@H](O)C2O)cc2oc(-c3ccc(O)c(O)c3)c(O[C@@H]3OC(C)[C@H](O)C(O)[C@@H]3O)c(=O)c2c1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe brasiliensis Ref.
PlantaeCrassulaceaeKalanchoe gracilis Ref.
PlantaeCrassulaceaeKalanchoe spathulata Ref.
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