input word = C00018698

Metabolite InformationStructural formula
Name Cochliobolin B
Zizanin B
Formula C25H38O4
Mw 402.2770097
CAS RN 5601-74-1
C_ID C00018698 ,
InChIKey SXRLPRKYTRWOES-DFEJPCJTNA-N
InChICode InChI=1S/C25H38O4/c1-16(2)7-6-8-17(3)25(29)12-11-23(4)13-19-22(20(27)14-24(19,5)28)18(15-26)9-10-21(23)25/h7,9,15,17,19,21-22,28-29H,6,8,10-14H2,1-5H3/b18-9-/t17-,19-,21+,22+,23+,24+,25-/m0/s1
SMILES C1(=O)C[C@@]([C@@H]2[C@H]1C(=CC[C@@H]1[C@@](C2)(CC[C@]1(O)[C@H](CCC=C(C)C)C)C)C=O)(C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPleosporaceaeCochliobolus miyabeanus Ref.
FungiPleosporaceaeHelminthosporium zizaniae Ref.
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OrganismCochliobolus miyabeanus
ReferenceOrsenigo,Phytochem.,29,(1957),189

Carruthers,J.Chem.Soc.,Chem.Commun.,(1971),164