input word = C00057201

Metabolite InformationStructural formula
Name Myricatomentoside II
Formula C27H34O11
Mw 534.21011193
CAS RN 191999-63-0
C_ID C00057201
InChIKey BSILZSYJTIBPFN-CNFGNZGNSA-N
InChICode InChI=1S/C27H34O11/c1-35-25-16-11-14(5-3-4-6-18(30)19(31)10-13-7-8-17(29)15(16)9-13)24(26(25)36-2)38-27-23(34)22(33)21(32)20(12-28)37-27/h7-9,11,19-23,27-29,31-34H,3-6,10,12H2,1-2H3/t19?,20-,21-,22+,23-,27+/m1/s1
SMILES COc1c2cc(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC)CCCCC(=O)C(O)Cc1ccc(O)c-2c1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica gale var. tomentosa Ref.
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OrganismMyrica gale var. tomentosa
ReferenceCampbell, R.V.M. et al., Chem. Comm., 1970, 1206-1207 (Myricanol, Myricanone)