input word = C00020975

Metabolite InformationStructural formula
Name Gochnatiolide A
Formula C30H30O7
Mw 502.19915331
CAS RN 87606-12-0
C_ID C00020975 ,
InChIKey YBWJOCYIEKRETE-PAIYKDLWNA-N
InChICode InChI=1S/C30H30O7/c1-12-5-6-16-13(2)28(34)37-26(16)21-18(12)11-19(31)30(21)10-9-29(35)8-7-17-14(3)27(33)36-25(17)20-15(4)24(32)23(30)22(20)29/h16-18,20-21,25-26,35H,1-11H2/t16-,17-,18-,20-,21-,25-,26-,29-,30-/m0/s1
SMILES C=C1C(=O)C2=C3[C@H]1[C@H]1OC(=O)C(=C)[C@@H]1CC[C@]3(O)CCC21C(=O)C[C@H]2C(=C)CC[C@H]3C(=C)C(=O)O[C@@H]3[C@H]21
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGochnatia paniculata Ref.
--Gochnaria paniculata Ref.
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