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 [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)O)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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