input word = C00020976

Metabolite InformationStructural formula
Name Gochnatiolide B
Formula C30H30O7
Mw 502.19915331
CAS RN 87606-11-9
C_ID C00020976 ,
InChIKey FJSHUGOPWDQYLC-QRIKRXJGNA-N
InChICode InChI=1S/C30H30O7/c1-12-5-7-18-14(3)28(34)37-25(18)23-19(12)11-20(31)29(23)10-9-16-6-8-17-13(2)27(33)36-24(17)21-15(4)26(32)30(29,35)22(16)21/h17-19,21,23-25,35H,1-11H2/t17-,18-,19-,21-,23-,24-,25-,29+,30+/m0/s1
SMILES C1C(=C)[C@H]2[C@@H]([C@@H]3[C@@H](C1)C(=C)C(=O)O3)[C@@]1(C(=O)C2)[C@]2(C3=C(CC1)CC[C@@H]1[C@@H]([C@H]3C(=C)C2=O)OC(=O)C1=C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeGochnatia paniculata Ref.
--Gochnaria paniculata Ref.
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