input word = C00039474

Metabolite InformationStructural formula
Name Jaborotetrol
Formula C28H38O8
Mw 502.25666819
CAS RN 135293-19-5
C_ID C00039474 ,
InChIKey GWBUBPCRQXECKY-NCQDPNRNNA-N
InChICode InChI=1S/C28H38O8/c1-13-14(2)23(31)35-21(13)22-15(3)26(32)10-8-17-16-11-20(30)27(33)9-6-7-19(29)24(27,4)18(16)12-28(34,36-22)25(17,26)5/h6-7,15-18,20-22,30,32-34H,8-12H2,1-5H3/t15-,16+,17+,18+,20-,21+,22-,24+,25+,26-,27+,28+/m1/s1
SMILES CC1=C(C)[C@@H]([C@@H]2O[C@@]3(O)C[C@H]4[C@@H](C[C@@H](O)[C@@]5(O)CC=CC(=O)[C@]45C)[C@@H]4CC[C@@](O)([C@@H]2C)[C@]43C)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeJaborosa laciniata Ref.
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