input word = C00006015

Metabolite InformationStructural formula
Name Isorhamnetin 3-(4'''-p-coumarylrobinobioside)
Formula C37H38O18
Mw 770.20581441
CAS RN 128533-13-1
C_ID C00006015 ,
InChIKey BRALEKVBUFQYGS-SXLMHSHNNA-N
InChICode InChI=1S/C37H38O18/c1-15-33(54-25(42)10-5-16-3-7-18(38)8-4-16)30(46)32(48)36(51-15)50-14-24-27(43)29(45)31(47)37(53-24)55-35-28(44)26-21(41)12-19(39)13-23(26)52-34(35)17-6-9-20(40)22(11-17)49-2/h3-13,15,24,27,29-33,36-41,43,45-48H,14H2,1-2H3/b10-5+/t15-,24+,27+,29+,30-,31-,32+,33+,36-,37+/m1/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)OC(=O)/C=C/c1ccc(cc1)O)O)O)O)O)O)c1ccc(c(c1)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAmaranthaceaeAerva javanica Ref.
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