input word = C00002761

Metabolite InformationStructural formula
Name Myricoside
Formula C34H44O19
Mw 756.24767923
CAS RN 76076-04-5
C_ID C00002761 ,
InChIKey KAKUSAKVVYFENV-OXBLUCGKNA-N
InChICode InChI=1S/C34H44O19/c1-15-24(42)28(52-33-30(45)34(46,13-36)14-48-33)25(43)32(49-15)53-29-26(44)31(47-9-8-17-3-6-19(38)21(40)11-17)50-22(12-35)27(29)51-23(41)7-4-16-2-5-18(37)20(39)10-16/h2-7,10-11,15,22,24-33,35-40,42-46H,8-9,12-14H2,1H3/b7-4+/t15-,22+,24-,25-,26+,27+,28-,29+,30-,31+,32-,33-,34+/m0/s1
SMILES CC1O[C@@H](O[C@@H]2C(O)[C@H](OCCc3ccc(O)c(O)c3)OC(CO)[C@H]2OC(=O)/C=C/c2ccc(O)c(O)c2)C(O)[C@@H](O[C@@H]2OC[C@](O)(CO)C2O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeClerodendrum myricoides Ref.
PlantaeVerbenaceaeClerodendron myricoides Ref.
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OrganismClerodendron myricoides
ReferenceSun, et al., Brief Handbook of Natural Active Compounds, Medicinal Science and Technology Press of China, Beijing, (1998)