input word = C00042176

Metabolite InformationStructural formula
Name 7-Oxo-16,19-dihydroxy-3,4-dehydroclerodan-15,20-diacid dilactone
(-)-8-epi-Gaudichanolide B
Formula C20H26O5
Mw 346.17802394
CAS RN 63640-88-0
C_ID C00042176 ,
InChIKey LUYUZBFGBTZZHC-FLEBTTKMNA-N
InChICode InChI=1S/C20H26O5/c1-12-15(21)9-20-11-25-18(23)14(20)4-3-5-16(20)19(12,2)7-6-13-8-17(22)24-10-13/h4,12-13,16H,3,5-11H2,1-2H3/t12-,13-,16-,19-,20-/m1/s1
SMILES C1(=O)[C@H]([C@]([C@@H]2[C@@]3(C1)C(=CCC2)C(=O)OC3)(CC[C@H]1COC(=O)C1)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis gaudichaudiana Ref.
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OrganismBaccharis gaudichaudiana
ReferenceHayashi,J.Nat.Prod.,68,(2005),1121