input word = C00056427

Metabolite InformationStructural formula
Name Ixocarpanolide
Formula C28H40O6
Mw 472.28248901
CAS RN 108157-59-1
C_ID C00056427
InChIKey MLMDWCVFKUVZGH-AKAZKRMISA-N
InChICode InChI=1S/C28H40O6/c1-14-13-20(33-24(30)15(14)2)27(5,31)18-9-8-16-21-17(10-12-25(16,18)3)26(4)19(29)7-6-11-28(26,32)23-22(21)34-23/h6-7,14-18,20-23,31-32H,8-13H2,1-5H3/t14-,15+,16-,17-,18-,20+,21-,22-,23-,25-,26-,27+,28-/m0/s1
SMILES O[C@]([C@]12C)([C@](O3)([H])[C@]3([H])[C@]4([H])[C@]2([H])CC[C@@]5(C)[C@]4(CC[C@]5([H])[C@](O)(C)[C@]6([H])OC([C@H](C)[C@@H](C)C6)=O)[H])CC=CC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis ixocarpa Ref.
zoom in