input word = C00005660

Metabolite InformationStructural formula
Name Tomentin 6,4'-diglucoside
Formula C29H34O18
Mw 670.17451429
CAS RN 64190-91-6
C_ID C00005660 ,
InChIKey UCUKHAYJFKBLBM-FPBCXKMRNA-N
InChICode InChI=1S/C29H34O18/c1-41-13-6-12-16(19(35)26(13)47-29-24(40)22(38)18(34)15(8-31)46-29)20(36)27(42-2)25(43-12)9-3-4-11(10(32)5-9)44-28-23(39)21(37)17(33)14(7-30)45-28/h3-6,14-15,17-18,21-24,28-35,37-40H,7-8H2,1-2H3/t14-,15+,17+,18+,21-,22-,23+,24+,28+,29-/m0/s1
SMILES COc1cc2oc(-c3ccc(O[C@@H]4O[C@@H](CO)[C@@H](O)C(O)C4O)c(O)c3)c(OC)c(=O)c2c(O)c1O[C@@H]1OC(CO)[C@@H](O)[C@H](O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSaxifragaceaeChrysosplenium tetrandrum Ref.
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