input word = C00005559

Metabolite InformationStructural formula
Name Isorhamnetin 3,7-dirhamnoside
Formula C28H32O15
Mw 608.17412036
CAS RN 113137-49-8
C_ID C00005559 ,
InChIKey UNMZJSVCTCKOEC-VUVWSCTPNA-N
InChICode InChI=1S/C28H32O15/c1-9-18(31)21(34)23(36)27(39-9)41-12-7-14(30)17-16(8-12)42-25(11-4-5-13(29)15(6-11)38-3)26(20(17)33)43-28-24(37)22(35)19(32)10(2)40-28/h4-10,18-19,21-24,27-32,34-37H,1-3H3/t9-,10+,18-,19-,21-,22-,23+,24-,27-,28-/m0/s1
SMILES c1(cc(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)OC)O)O)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCapparaceaeCleome droserifolia Ref.
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