input word = C00030909

Metabolite InformationStructural formula
Name Pachyclavulide C
(-)-Pachyclavulide C
Formula C28H36O11
Mw 548.22576199
CAS RN 877669-15-3
C_ID C00030909 ,
InChIKey BTINDMSRMIILMM-FKFACGGYNA-N
InChICode InChI=1S/C28H36O11/c1-14-8-10-21(36-17(4)30)27(7)22(37-18(5)31)11-9-20(13-35-16(3)29)12-23-28(34,15(2)26(33)39-23)25(24(14)27)38-19(6)32/h8-9,11-12,15,21-25,34H,10,13H2,1-7H3/b11-9+,20-12+/t15-,21-,22-,23-,24+,25-,27+,28-/m0/s1
SMILES CC(=O)OCC1=C/[C@@H]2OC(=O)[C@H](C)C2(O)[C@@H](OC(C)=O)[C@H]2C(C)=CC[C@H](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