input word = C00010663

Metabolite InformationStructural formula
Name Premnoside D
Formula C40H46O19
Mw 830.26332929
CAS RN 125874-30-8
C_ID C00010663 ,
InChIKey UUGNBOLOOMQKGX-LYVRDMLCNA-N
InChICode InChI=1S/C40H46O19/c1-18-29(47)34(55-26(45)12-7-20-5-10-23(44)24(15-20)51-2)35(56-27(46)11-6-19-3-8-21(43)9-4-19)39(53-18)57-33-22-13-14-52-37(28(22)40(17-42)36(33)59-40)58-38-32(50)31(49)30(48)25(16-41)54-38/h3-15,18,22,25,28-39,41-44,47-50H,16-17H2,1-2H3/b11-6+,12-7+/t18-,22+,25-,28-,29-,30-,31+,32+,33+,34+,35-,36+,37+,38+,39-,40-/m1/s1
SMILES COc1cc(/C=C/C(=O)OC2[C@H](O)C(C)O[C@H](O[C@H]3[C@@H]4C=CO[C@@H](O[C@@H]5OC(CO)[C@@H](O)C(O)[C@@H]5O)[C@@H]4[C@@]4(CO)O[C@@H]34)[C@@H]2OC(=O)/C=C/c2ccc(O)cc2)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataePremna odorata Ref.
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