input word = C00006025

Metabolite InformationStructural formula
Name Patuletin 3-rhamnoside-7-(4'''-acetylrhamnoside)
Formula C30H34O17
Mw 666.17959966
CAS RN 125140-15-0
C_ID C00006025 ,
InChIKey ROHCQTPPWQLVDI-QUXWOKOCNA-N
InChICode InChI=1S/C30H34O17/c1-9-18(34)21(37)23(39)30(42-9)47-28-20(36)17-15(45-26(28)12-5-6-13(32)14(33)7-12)8-16(27(41-4)19(17)35)46-29-24(40)22(38)25(10(2)43-29)44-11(3)31/h5-10,18,21-25,29-30,32-35,37-40H,1-4H3/t9-,10+,18-,21-,22-,23+,24+,25-,29-,30-/m0/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O)c1ccc(c(c1)O)O)O)OC)O[C@H]1[C@@H]([C@@H]([C@H]([C@H](O1)C)OC(=O)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe gracilis Ref.
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