input word = C00030908

Metabolite InformationStructural formula
Name Pachyclavulide B
(-)-Pachyclavulide B
Formula C26H34O10
Mw 506.21519731
CAS RN 877669-13-1
C_ID C00030908 ,
InChIKey SQSFPEZUZQUULH-IPYLMJJHNA-N
InChICode InChI=1S/C26H34O10/c1-13-7-9-19(33-15(3)28)25(6)20(34-16(4)29)10-8-18(12-27)11-21-26(32,14(2)24(31)36-21)23(22(13)25)35-17(5)30/h7-8,10-11,14,19-23,27,32H,9,12H2,1-6H3/b10-8+,18-11+/t14-,19-,20-,21-,22+,23-,25+,26+/m0/s1
SMILES C\1=C(/C=C/[C@@H]([C@@]2([C@@H]([C@@H]([C@@]3([C@H]1OC(=O)[C@@H]3C)O)OC(=O)C)C(=CC[C@@H]2OC(=O)C)C)C)OC(=O)C)\CO
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