input word = C00012284

Metabolite InformationStructural formula
Name Repandin C
Formula C25H32O10
Mw 492.19954724
CAS RN 71138-44-8
C_ID C00012284 ,
InChIKey BPSJBBDWRWCKST-XNTDXEJSNA-N
InChICode InChI=1S/C25H32O10/c1-11(2)21(27)32-18-15(23(29)31-7)10-8-9-12(3)17(26)19-16(13(4)22(28)33-19)20(18)34-24(30)25(6)14(5)35-25/h10-11,14,16-20,26H,3-4,8-9H2,1-2,5-7H3/b15-10-/t14-,16-,17+,18-,19+,20-,25-/m1/s1
SMILES C=C1CC/C=C(/C(=O)OC)C(OC(=O)C(C)C)C(OC(=O)C2(C)OC2C)C2C(=C)C(=O)OC2C1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeTetragonotheca repanda Ref.
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