input word = C00007158

Metabolite InformationStructural formula
Name 3'-Prenylrubranine
Formula C30H34O4
Mw 458.24570957
CAS RN 116133-67-6
C_ID C00007158 ,
InChIKey FYCUILMSDSLIGD-OGIIFXRQNA-N
InChICode InChI=1S/C30H34O4/c1-18(2)11-13-20-26(32)25(23(31)14-12-19-9-7-6-8-10-19)28-24-21-17-30(5,34-27(20)24)16-15-22(21)29(3,4)33-28/h6-12,14,21-22,32H,13,15-17H2,1-5H3/b14-12+/t21?,22-,30+/m0/s1
SMILES c1c(cccc1)/C=C/C(=O)c1c2c3c(c(c1O)CC=C(C)C)O[C@]1(C[C@H]3[C@H](CC1)C(O2)(C)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeMallotus philippensis Ref.
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