input word = C00032479

Metabolite InformationStructural formula
Name Verbenabraside A
(-)-Verbenabraside A
Formula C25H32O12
Mw 524.18937649
CAS RN 919079-61-1
C_ID C00032479 ,
InChIKey JBANWRRXNAVXHA-CNFBWGKFNA-N
InChICode InChI=1S/C25H32O12/c1-11-6-17-20(13(11)8-26)14(24(33)36-17)9-35-25-23(32)22(31)21(30)18(37-25)10-34-19(29)5-3-12-2-4-15(27)16(28)7-12/h2-5,7,11,13-14,17-18,20-23,25-28,30-32H,6,8-10H2,1H3/b5-3+/t11-,13+,14+,17-,18+,20-,21+,22-,23+,25+/m0/s1
SMILES [C@H]1(O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)COC(=O)/C=C/c1cc(c(cc1)O)O)OC[C@H]1C(=O)O[C@@H]2[C@H]1[C@@H]([C@H](C2)C)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeVerbenaceaeVerbena brasiliensis VELL Ref.
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