input word = C00054193

Metabolite InformationStructural formula
Name 21,23:24,25-Diepoxytirucalla-1,7-diene-3,21-diol
Formula C30H46O4
Mw 470.33960996
CAS RN 159650-09-6
C_ID C00054193
InChIKey IXMBCIFWOAKVNY-JJDPDEBESA-N
InChICode InChI=1S/C30H46O4/c1-26(2)22-9-8-20-19(28(22,5)13-12-23(26)31)11-15-29(6)18(10-14-30(20,29)7)17-16-21(33-25(17)32)24-27(3,4)34-24/h8,12-13,17-19,21-25,31-32H,9-11,14-16H2,1-7H3/t17-,18-,19-,21+,22-,23-,24-,25+,28+,29-,30+/m0/s1
SMILES [H][C@@]1([C@@]2([H])[C@H](O)O[C@]([C@]3([H])OC3(C)C)([H])C2)CC[C@]4(C)C5=CC[C@@]6([H])C(C)(C)[C@@H](O)C=C[C@]6(C)[C@@]5([H])CC[C@]41C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeRutaceaeMurraya koenigii Ref.
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