input word = C00023688

Metabolite InformationStructural formula
Name Allocyafrin B4
Formula C20H28O4
Mw 332.19875938
CAS RN 68121-91-5
C_ID C00023688 ,
InChIKey SRUVAUDOCNEFJS-UHFFFAOYNA-N
InChICode InChI=1S/C20H28O4/c1-11(2)13-8-17(24)20(4)6-5-19(3)14(18(13)20)9-15(22)12(10-21)7-16(19)23/h7-8,11,14-15,18,21-22H,5-6,9-10H2,1-4H3/t14-,15-,18-,19-,20-/m1/s1
SMILES [C@@]12([C@@H]([C@@H]3[C@](CC1)(C(=O)C=C3C(C)C)C)C[C@H](C(=CC2=O)CO)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiNidulariaceaeCyathus africanus Ref.
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OrganismCyathus africanus
ReferenceAyer,Can.J.Chem.,56,(1978),2113-2120