input word = C00006042

Metabolite InformationStructural formula
Name Desmanthin 1
Myricetin-3-O-(2''-O-galloyl)-alpha-rhamnopyranoside
Formula C28H24O16
Mw 616.10643472
CAS RN 56939-52-7
C_ID C00006042 ,
InChIKey IXDHJNNHLVGCLC-OPJAEYCGNA-N
InChICode InChI=1S/C28H24O16/c1-8-19(35)23(39)26(43-27(40)10-4-15(33)21(37)16(34)5-10)28(41-8)44-25-22(38)18-12(30)6-11(29)7-17(18)42-24(25)9-2-13(31)20(36)14(32)3-9/h2-8,19,23,26,28-37,39H,1H3/t8-,19-,23+,26-,28-/m0/s1
SMILES CC1O[C@@H](Oc2c(-c3cc(O)c(O)c(O)c3)oc3cc(O)cc(O)c3c2=O)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)C(O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCrassulaceaeSedum selskianum Ref.
PlantaeFabaceaeDesmanthus illinoensis Ref.
PlantaeMyricaceaeMyrica esculenta Ref.
PlantaeMyrtaceaeSyzygium samarangense Ref.
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