input word = C00003226

Metabolite InformationStructural formula
Name Budlein A
Formula C20H22O7
Mw 374.13655306
CAS RN 59481-48-0
C_ID C00003226 ,
InChIKey BMVJFNLJSZHNNS-XNOUQNHRNA-N
InChICode InChI=1S/C20H22O7/c1-5-10(2)18(23)26-15-8-20(4)16(22)7-13(27-20)12(9-21)6-14-17(15)11(3)19(24)25-14/h5-7,14-15,17,21H,3,8-9H2,1-2,4H3/b10-5?,12-6-/t14?,15-,17+,20-/m1/s1
SMILES [C@]12(C(=O)C=C(O1)/C(=C\[C@H]1[C@H](C(=C)C(=O)O1)[C@@H](C2)OC(=O)/C(=C/C)/C)/CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeViguiera angustifolia Ref.
PlantaeAsteraceaeViguiera buddleiaeformis Ref.
PlantaeAsteraceaeViguiera eriophora ssp.eriophora Ref.
PlantaeAsteraceaeViguiera robusta Ref.
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