input word = C00032507

Metabolite InformationStructural formula
Name Wattoside H
(-)-Wattoside H
Formula C33H52O15
Mw 688.33062099
CAS RN 619319-16-3
C_ID C00032507 ,
InChIKey HRWWAAUAZDITCB-RENMTEDWNA-N
InChICode InChI=1S/C33H52O15/c1-11-10-45-32(8-16(11)46-29-25(40)22(37)20(35)17(9-34)47-29)12(2)19-15(48-32)7-14-18-13(5-6-30(14,19)3)31(4)26(41)23(38)24(39)28(43)33(31,44)27(42)21(18)36/h11-26,28-29,34-41,43-44H,5-10H2,1-4H3/t11-,12-,13-,14-,15-,16-,17+,18+,19-,20+,21+,22-,23+,24-,25+,26+,28-,29+,30-,31-,32+,33-/m0/s1
SMILES C[C@H]1CO[C@]2(C[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)O[C@H]1C[C@H]3[C@@H]4[C@@H](O)C(=O)[C@]5(O)[C@@H](O)[C@@H](O)[C@@H](O)[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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