input word = C00042072

Metabolite InformationStructural formula
Name 20-epi-Isoiguesterinol
Formula C28H38O3
Mw 422.28209508
CAS RN 848155-53-3
C_ID C00042072 ,
InChIKey RRKSDDREVOXSJD-LSYWBBSDNA-N
InChICode InChI=1S/C28H38O3/c1-17-19-6-7-22-26(3,20(19)15-21(30)24(17)31)11-13-28(5)23-14-18(16-29)8-9-25(23,2)10-12-27(22,28)4/h6-7,15,18,23,29,31H,8-14,16H2,1-5H3/t18-,23+,25+,26-,27+,28-/m0/s1
SMILES CC1=C(O)C(=O)C=C2C1=CC=C1[C@@]2(C)CC[C@@]2(C)[C@@H]3C[C@@H](CO)CC[C@]3(C)CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeSalacia madagascariensis Ref.
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