input word = C00043396

Metabolite InformationStructural formula
Name Clavulone I
Formula C25H34O7
Mw 446.23045344
CAS RN 85700-42-1
C_ID C00043396 ,
InChIKey QXSYLWTUKSQQCP-NKIXNSCMNA-N
InChICode InChI=1S/C25H34O7/c1-5-6-7-8-9-10-17-25(32-20(3)27)18-16-23(28)22(25)13-11-12-21(31-19(2)26)14-15-24(29)30-4/h9-13,16,18,21H,5-8,14-15,17H2,1-4H3/b10-9-,12-11-,22-13-/t21-,25-/m0/s1
SMILES C1=C[C@](/C(=C/C=C\[C@@H](CCC(=O)OC)OC(=O)C)/C1=O)(C/C=C\CCCCC)OC(=O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Clavularia viridis Ref.
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