input word = C00034577

Metabolite InformationStructural formula
Name Leucosceptoside B
Formula C36H48O18
Mw 768.28406473
CAS RN 83529-63-9
C_ID C00034577 ,
InChIKey TYKWSXKLDHLLAB-YBGNVSOHNA-N
InChICode InChI=1S/C36H48O18/c1-18-29(41)30(42)31(43)34(51-18)53-25-14-28(48-11-10-20-5-8-23(46-2)22(39)12-20)52-26(15-49-35-33(44)36(45,16-37)17-50-35)32(25)54-27(40)9-6-19-4-7-21(38)24(13-19)47-3/h4-9,12-13,18,25-26,28-35,37-39,41-45H,10-11,14-17H2,1-3H3/b9-6+/t18-,25+,26+,28+,29-,30+,31+,32+,33-,34-,35-,36+/m0/s1
SMILES [C@@H]1([C@H]([C@H](O[C@H](C1)OCCc1cc(c(cc1)OC)O)CO[C@@H]1[C@@H]([C@](CO1)(CO)O)O)OC(=O)/C=C/c1cc(c(cc1)O)OC)O[C@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeLabiataeLeucosceptrum japonicum Ref.
PlantaeScrophulariaceaeVerbascum wiedemannianum Ref.
--Pithecotenium crucigerum (L.) A.H Gentry Ref.
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