input word = C00060302

Metabolite InformationStructural formula
Name (7'R,8'R)-3,5'-Dimethoxy-9,9'-dihydroxy-4,7'-epoxylignan 4'-beta-D-glucopyranoside
Formula C26H34O11
Mw 522.21011193
CAS RN 167819-21-8
C_ID C00060302
InChIKey NYAPVWGUAUDHRY-QMYUBYRNSA-N
InChICode InChI=1S/C26H34O11/c1-33-18-10-14(5-6-17(18)35-26-23(32)22(31)21(30)20(12-29)36-26)24-16(11-28)15-8-13(4-3-7-27)9-19(34-2)25(15)37-24/h5-6,8-10,16,20-24,26-32H,3-4,7,11-12H2,1-2H3/t16-,20+,21+,22-,23+,24-,26+/m0/s1
SMILES COc1cc(C2Oc3c(OC)cc(CCCO)cc3C2CO)ccc1OC1OC(CO)C(O)C(O)C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeSalvia officinalis Ref.
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