input word = C00039603

Metabolite InformationStructural formula
Name Langduin B
(-)-Langduin B
Formula C20H28O6
Mw 364.18858863
CAS RN 247044-24-2
C_ID C00039603 ,
InChIKey YXLWTUIPFPTBEL-GUJCTXMXNA-N
InChICode InChI=1S/C20H28O6/c1-18(2)5-4-6-19(3)14(18)8-13(22)10-7-12-11(9-21)17(24)26-20(12,25)16(23)15(10)19/h7,13-16,21-23,25H,4-6,8-9H2,1-3H3/t13-,14+,15-,16+,19+,20+/m0/s1
SMILES CC1(C)CCC[C@]2(C)[C@@H]1C[C@H](O)C1=CC3=C(CO)C(=O)O[C@@]3(O)[C@H](O)[C@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeEuphorbiaceaeEuphorbia fischeriana Ref.
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OrganismEuphorbia fischeriana
ReferenceChe,Phytochem.,52,(1999),117