input word = C00034623

Metabolite InformationStructural formula
Name Pensteminoside
(-)-Pensteminoside
Formula C33H34O13
Mw 638.19994117
CAS RN 946617-55-6
C_ID C00034623 ,
InChIKey WJAQWJBCGGXVJZ-FYQLTYLTNA-N
InChICode InChI=1S/C33H34O13/c34-20-10-6-19(7-11-20)9-12-23(35)42-16-22-27(38)28(39)29(40)32(44-22)45-31-25-21(14-15-41-31)26(37)30-33(25,46-30)17-43-24(36)13-8-18-4-2-1-3-5-18/h1-15,21-22,25-32,34,37-40H,16-17H2/b12-9+,13-8+/t21-,22+,25+,26+,27+,28-,29+,30-,31+,32-,33+/m0/s1
SMILES O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O[C@H]2OC=C[C@H]3[C@@H](O)[C@@H]4O[C@]4(COC(=O)/C=C/c4ccccc4)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pentemon gentianoides HBK Ref.
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