input word = C00023685

Metabolite InformationStructural formula
Name Neoallocyathin A4
Formula C20H30O4
Mw 334.21440945
CAS RN 66641-34-7
C_ID C00023685 ,
InChIKey LQKSGHOBSZIKDO-BOYRNHRRNA-N
InChICode InChI=1S/C20H30O4/c1-12(2)19-8-6-17(3)5-7-18(4)15(20(17,19)24-19)10-14(22)13(11-21)9-16(18)23/h9,12,14-15,21-22H,5-8,10-11H2,1-4H3/t14-,15+,17+,18-,19-,20-/m1/s1
SMILES [C@@]12([C@@H]([C@@]34[C@@](CC1)(CC[C@]3(C(C)C)O4)C)C[C@H](C(=CC2=O)CO)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNidulariaceaeCyathus helenae Ref.
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OrganismCyathus helenae
ReferenceAyer,Can.J.Chem.,56,(1978),717-721