input word = C00023337

Metabolite InformationStructural formula
Name 13Z-Labdene-8alpha,15,16-triol 8-beta-L-xylopyranoside
Formula C25H44O7
Mw 456.30870376
CAS RN 130395-43-6
C_ID C00023337 ,
InChIKey IFSVQOPBRCXMSV-VWVNLYHMNA-N
InChICode InChI=1S/C25H44O7/c1-23(2)10-5-11-24(3)18(23)8-12-25(4,19(24)7-6-16(14-27)9-13-26)32-22-21(30)20(29)17(28)15-31-22/h9,17-22,26-30H,5-8,10-15H2,1-4H3/b16-9-/t17-,18-,19+,20-,21-,22-,24-,25+/m0/s1
SMILES CC1(C)CCC[C@@]2(C)C1CC[C@@](C)(O[C@H]1OC[C@H](O)[C@@H](O)C1O)[C@@H]2CC/C(=C/CO)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis salicifolia Ref.
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OrganismBaccharis salicifolia
ReferenceJukupovic,Phytochem.,29,(1990),2217