input word = C00032508

Metabolite InformationStructural formula
Name Wattoside I
(-)-Wattoside I
Formula C39H64O15
Mw 772.42452138
CAS RN 619319-17-4
C_ID C00032508 ,
InChIKey SLOFALMFNGCPNN-DZSIJYDXNA-N
InChICode InChI=1S/C39H64O15/c1-16-14-50-39(12-24(16)51-36-34(48)32(46)30(44)26(53-36)15-49-35-33(47)31(45)29(43)25(13-40)52-35)17(2)28-23(54-39)11-22-20-6-5-18-9-19(41)10-27(42)38(18,4)21(20)7-8-37(22,28)3/h16-36,40-48H,5-15H2,1-4H3/t16-,17-,18+,19+,20+,21-,22-,23-,24-,25+,26+,27+,28-,29-,30-,31-,32-,33+,34+,35+,36+,37-,38-,39+/m0/s1
SMILES C[C@H]1CO[C@]2(C[C@@H]1O[C@@H]1O[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1C[C@H]3[C@@H]4CC[C@@H]5C[C@@H](O)C[C@@H](O)[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeConvallariaceaeTupistra wattii HOOK.f. Ref.
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