input word = C00036238

Metabolite InformationStructural formula
Name Veprisonic acid
Formula C27H34O10
Mw 518.21519731
CAS RN 623903-30-0
C_ID C00036238 ,
InChIKey SAOLXGKDXTUSRH-DWTJMMGGNA-N
InChICode InChI=1S/C27H34O10/c1-23(2)14-10-15(28)26(5)13(25(14,4)16(36-23)11-17(29)33-6)7-8-24(3)19(12-9-18(30)34-21(12)31)35-22(32)20-27(24,26)37-20/h9,13-14,16,19-21,31H,7-8,10-11H2,1-6H3/t13-,14+,16-,19+,20-,21+,24+,25-,26+,27-/m1/s1
SMILES C1(=O)O[C@H]([C@]2([C@]3([C@@H]1O3)[C@]1([C@H](CC2)[C@@]2([C@@H](CC1=O)C(O[C@@H]2CC(=O)OC)(C)C)C)C)C)C1=CC(=O)O[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeBouchardatia neurococca Ref.
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