input word = C00040846

Metabolite InformationStructural formula
Name 7-Deacetyl-23-hydroxyneotrichilenonelide
Formula C26H34O6
Mw 442.23553882
CAS RN 220098-16-8
C_ID C00040846 ,
InChIKey UNNDUJZAXNGVNN-ZABIRPSVNA-N
InChICode InChI=1S/C26H34O6/c1-23(2)17-12-19(29)26(5)16(25(17,4)9-7-18(23)28)6-8-24(3)14(11-15(27)21(24)26)13-10-20(30)32-22(13)31/h7,9-10,14,16-17,19-21,29-30H,6,8,11-12H2,1-5H3/t14-,16+,17-,19+,20+,21+,24-,25+,26-/m0/s1
SMILES CC1(C)C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)C[C@H]4C4=CC(O)OC4=O)[C@]3(C)[C@H](O)C[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTrichilia estipulata Ref.
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