input word = C00058179

Metabolite InformationStructural formula
Name Skimmiarepin C
Formula C35H54O6
Mw 570.39203946
CAS RN 690664-15-4
C_ID C00058179
InChIKey ITVZPGUBVVWDLH-YPEKPQOMSA-N
InChICode InChI=1S/C35H54O6/c1-19(2)15-27(37)40-26-11-12-32(7)23-10-13-34-18-35(34,33(23,8)25(36)17-24(32)30(26,3)4)14-9-21(34)20-16-22(39-29(20)38)28-31(5,6)41-28/h15,20-26,28-29,36,38H,9-14,16-18H2,1-8H3/t20-,21-,22+,23+,24-,25+,26+,28-,29?,32+,33-,34+,35+/m0/s1
SMILES CC(C)=CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]45C[C@]4(CC[C@H]5[C@@H]4C[C@H]([C@@H]5OC5(C)C)OC4O)[C@]3(C)[C@H](O)C[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeAegle marmelos Ref.
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