input word = C00056889

Metabolite InformationStructural formula
Name Myricanol 5-beta-sophoroside
Formula C33H46O15
Mw 682.2836708
CAS RN 116107-17-6
C_ID C00056889
InChIKey MWHPGFTUVBRCFT-UHFFFAOYSA-N
InChICode InChI=1S/C33H46O15/c1-43-30-19-12-16(5-3-4-6-17(35)9-7-15-8-10-20(36)18(19)11-15)29(31(30)44-2)48-33-28(42)26(40)24(38)22(47-33)14-45-32-27(41)25(39)23(37)21(13-34)46-32/h8,10-12,17,21-28,32-42H,3-7,9,13-14H2,1-2H3
SMILES COc1c2cc(c(OC3OC(COC4OC(CO)C(O)C(O)C4O)C(O)C(O)C3O)c1OC)CCCCC(O)CCc1ccc(O)c-2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica rubra Ref.
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