input word = C00012062

Metabolite InformationStructural formula
Name (+)-Zempoalin D
Zempoalin D
Formula C21H26O8
Mw 406.16276781
CAS RN 98644-40-7
C_ID C00012062 ,
InChIKey UKKQHKIAOHJEFX-UHFFFAOYNA-N
InChICode InChI=1S/C21H26O8/c1-7-20(6)15-13(27-17(23)9(2)3)12-10(4)18(24)28-14(12)16(20)29-19(26-11(5)22)21(15)8-25-21/h7,9,12-16,19H,1,4,8H2,2-3,5-6H3/t12-,13-,14-,15-,16+,19+,20-,21-/m1/s1
SMILES [C@H]12[C@@H]([C@@H]3[C@H]([C@H](O[C@@H]([C@@]41OC4)OC(=O)C)[C@]2(C)C=C)OC(=O)C3=C)OC(=O)C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeVerbesina seattonii Ref.
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