input word = C00021747

Metabolite InformationStructural formula
Name 3-Angeloyl-8-angeloyloxyproustianol
Formula C29H38O9
Mw 530.25158281
CAS RN 69993-66-4
C_ID C00021747 ,
InChIKey CNKWMMKFGVTGBJ-ISKJSNTGNA-N
InChICode InChI=1S/C29H38O9/c1-9-14(3)24(32)36-20-11-18-26(34-16(5)30)38-27(35-17(6)31)23-21(37-25(33)15(4)10-2)12-22-28(7,8)19(20)13-29(18,22)23/h9-11,19-23,26-27H,12-13H2,1-8H3/b14-9-,15-10-/t19-,20-,21-,22+,23+,26-,27-,29-/m1/s1
SMILES C/C=C(/C)C(=O)O[C@@H]1C=C2[C@H](OC(C)=O)O[C@@H](OC(C)=O)[C@@H]3[C@H](OC(=O)/C(C)=CC)C[C@H]4C(C)(C)[C@H]1C[C@@]234
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaePerezia multiflora Ref.
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OrganismPerezia multiflora
ReferenceBohlmann,Chem. Ber.,112,(1979),427