input word = C00005512

Metabolite InformationStructural formula
Name Rhamnetin 3-robinobioside
Quercetin 7-methyl ether 3-robinobioside
3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-D-galactopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-4H-1-benzopyran-4-one
Formula C28H32O16
Mw 624.16903498
CAS RN 137121-78-9
C_ID C00005512 ,
InChIKey LVRWOUXRNRBDNV-QMCFYMAJNA-N
InChICode InChI=1S/C28H32O16/c1-9-18(32)21(35)23(37)27(41-9)40-8-16-19(33)22(36)24(38)28(43-16)44-26-20(34)17-14(31)6-11(39-2)7-15(17)42-25(26)10-3-4-12(29)13(30)5-10/h3-7,9,16,18-19,21-24,27-33,35-38H,8H2,1-2H3/t9-,16-,18-,19+,21-,22+,23-,24-,27+,28-/m0/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)C)O)O)O)O)O)O)c1ccc(c(c1)O)O)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCassia siamea Ref.
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