input word = C00032427

Metabolite InformationStructural formula
Name Tuboanoside B
Formula C42H64O16
Mw 824.419436
CAS RN 1079392-68-9
C_ID C00032427 ,
InChIKey YPDNZYNSVIOHHP-IKNJPYLHNA-N
InChICode InChI=1S/C42H64O16/c1-18(45)53-29-13-20(54-37-35(33(49)31(47)28(17-44)56-37)58-36-34(50)32(48)30(46)27(16-43)55-36)12-19-6-7-21-23-8-9-24(39(23,2)11-10-25(21)42(19,29)5)22-14-40(3)38(51)57-26(22)15-41(40,4)52/h6,20-37,43-44,46-50,52H,7-17H2,1-5H3/t20-,21+,22-,23+,24-,25+,26-,27-,28-,29+,30-,31-,32+,33+,34-,35-,36+,37-,39+,40+,41-,42?/m1/s1
SMILES CC(=O)O[C@H]1C[C@H](OC2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC2=CC[C@H]3[C@@H]4CC[C@H]([C@H]5C[C@@]6(C)C(=O)O[C@@H]5C[C@@]6(C)O)[C@@]4(C)CC[C@@H]3[C@]21C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeSolanaceaeTubocapsicum anomalum Ref.
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