input word = C00006023

Metabolite InformationStructural formula
Name Patuletin 3-rhamnoside-7-(2'''-acetylrhamnoside)
Kalambroside B
7-[(2-O-Acetyl-6-deoxy-alpha-L-mannopyranosyl)oxy]-3-[(6-deoxy-alpha-L-mannopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-4H-1-benzopyran-4-one
Formula C30H34O17
Mw 666.17959966
CAS RN 160473-00-7
C_ID C00006023 ,
InChIKey ORIAJDVKRTWESC-NZRZPEJPNA-N
InChICode InChI=1S/C30H34O17/c1-9-18(34)22(38)24(40)29(42-9)47-27-21(37)17-15(45-25(27)12-5-6-13(32)14(33)7-12)8-16(26(41-4)20(17)36)46-30-28(44-11(3)31)23(39)19(35)10(2)43-30/h5-10,18-19,22-24,28-30,32-36,38-40H,1-4H3/t9-,10+,18+,19+,22+,23+,24+,28-,29+,30-/m1/s1
SMILES c1(c(c(c2c(c1)oc(c(c2=O)O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@@H]1O)O)O)C)c1ccc(c(c1)O)O)O)OC)O[C@@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeKalanchoe brasiliensis Ref.
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