input word = C00030907

Metabolite InformationStructural formula
Name Pachyclavulide A
(-)-Pachyclavulide A
Formula C26H38O10
Mw 510.24649744
CAS RN 877669-12-0
C_ID C00030907 ,
InChIKey VGLTWELLKWMPEH-PAHUCWQBNA-N
InChICode InChI=1S/C26H38O10/c1-12-8-9-19(33-15(4)27)25(7)20(34-16(5)28)11-18(30)13(2)22(25)23(35-17(6)29)26(32)14(3)24(31)36-21(26)10-12/h10,13-14,18-23,30,32H,8-9,11H2,1-7H3/b12-10-/t13-,14-,18-,19-,20-,21-,22+,23-,25-,26+/m0/s1
SMILES C\1=C(\CC[C@@H]([C@@]2([C@@H]([C@@H]([C@@]3([C@H]1OC(=O)[C@@H]3C)O)OC(=O)C)[C@H]([C@H](C[C@@H]2OC(=O)C)O)C)C)OC(=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