input word = C00038151

Metabolite InformationStructural formula
Name 12-O-Methyl jaborosotetrol
Formula C29H40O8
Mw 516.27231825
CAS RN 194039-35-5
C_ID C00038151 ,
InChIKey PJTLBZSNUIZEGL-OHARAWFGNA-N
InChICode InChI=1S/C29H40O8/c1-14-15(2)24(32)36-22(14)23-16(3)27(33)11-9-18-17-12-21(31)28(34)10-7-8-20(30)25(28,4)19(17)13-29(35-6,37-23)26(18,27)5/h7-8,16-19,21-23,31,33-34H,9-13H2,1-6H3/t16-,17+,18+,19+,21-,22+,23-,25+,26+,27-,28+,29+/m1/s1
SMILES [C@@H]1([C@@]2([C@@]([C@@H]3[C@@H](C1)[C@H]1[C@@]4([C@](C3)(O[C@H]([C@H]([C@@]4(CC1)O)C)[C@@H]1C(=C(C(=O)O1)C)C)OC)C)(C(=O)C=CC2)C)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeJaborosa laciniata Ref.
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OrganismJaborosa laciniata
ReferenceCirigliano,J.Nat.Prod.,70,(2007),1644