input word = C00055493

Metabolite InformationStructural formula
Name Alkesterol B
Formula C28H44O2
Mw 412.33413065
CAS RN 1309354-29-7
C_ID C00055493
InChIKey IYRRXBQAMIZAAC-CABJDXJHSA-N
InChICode InChI=1S/C28H44O2/c1-17-14-19(16-28(17,5)30)18(2)23-8-9-24-22-7-6-20-15-21(29)10-12-26(20,3)25(22)11-13-27(23,24)4/h6,18-19,21-25,29-30H,1,7-16H2,2-5H3/t18-,19-,21+,22+,23-,24+,25+,26+,27-,28+/m1/s1
SMILES C=C1C[C@@H]([C@@H](C)[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)C[C@]1(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaePhysalis pubeacens Ref.
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