input word = C00040566

Metabolite InformationStructural formula
Name trisnor-Isoespinenoxide
Formula C27H44O
Mw 384.33921603
CAS RN 122638-91-9
C_ID C00040566 ,
InChIKey NYUOLQLVGBJSRN-CTXVPOMANA-N
InChICode InChI=1S/C27H44O/c1-18(2)19-9-11-22-24(19,3)13-15-27(6)23-12-10-21-20(8-7-17-28-21)25(23,4)14-16-26(22,27)5/h18-19,22-23H,7-17H2,1-6H3/t19-,22-,23+,24-,25+,26+,27-/m1/s1
SMILES C1COC2=C(C1)[C@]1([C@H](CC2)[C@@]2([C@@](CC1)([C@H]1[C@](CC2)([C@H](CC1)C(C)C)C)C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia supina Rafin Ref.
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