input word = C00007887

Metabolite InformationStructural formula
Name 4,2',4'-Trihydroxy-6'-methoxychalcone 4,4'-di-beta-glucoside
Formula C28H34O15
Mw 610.18977042
CAS RN 162440-77-9
C_ID C00007887 ,
InChIKey KTDKYPISSSYDJT-HKIGGORFNA-N
InChICode InChI=1S/C28H34O15/c1-39-17-9-14(41-28-26(38)24(36)22(34)19(11-30)43-28)8-16(32)20(17)15(31)7-4-12-2-5-13(6-3-12)40-27-25(37)23(35)21(33)18(10-29)42-27/h2-9,18-19,21-30,32-38H,10-11H2,1H3/b7-4+/t18-,19-,21+,22+,23+,24-,25+,26-,27+,28+/m0/s1
SMILES c1(cc(c(c(c1)OC)C(=O)/C=C/c1ccc(cc1)O[C@@H]1O[C@H]([C@H]([C@H]([C@H]1O)O)O)CO)O)O[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClerodendrum phlomidis Ref.
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