input word = C00030914

Metabolite InformationStructural formula
Name Pachyclavulide I
(-)-Pachyclavulide I
Formula C27H36O11
Mw 536.22576199
CAS RN 1008094-71-0
C_ID C00030914 ,
InChIKey BPTNOPJYGTTXJM-RWPSLRGDNA-N
InChICode InChI=1S/C27H36O11/c1-13-10-19(31)23(36-16(4)29)26(6)20(35-15(3)28)9-8-18(12-34-7)11-21-27(33,14(2)25(32)38-21)24(22(13)26)37-17(5)30/h8-11,14,19-24,31,33H,12H2,1-7H3/b9-8+,18-11+/t14-,19+,20-,21-,22+,23+,24-,26+,27+/m0/s1
SMILES COCC1=C/[C@@H]2OC(=O)[C@H](C)C2(O)[C@@H](OC(C)=O)[C@H]2C(C)=C[C@@H](O)C(OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)C=C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Pachyclavularia violacea Ref.
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OrganismPachyclavularia violacea
ReferenceIto,Chem.Pharm.Bull.,55,(2007),1671