input word = C00016105

Metabolite InformationStructural formula
Name AF 1
Acremolactone A
Formula C26H34O8
Mw 474.22536806
CAS RN 191163-92-5
C_ID C00016105 ,
InChIKey AIDBYRCMBCUHKZ-NGUMDEIDNA-N
InChICode InChI=1S/C26H34O8/c1-5-6-8-13(2)20(29)18-19-15-12-31-26(25-16(27)9-7-10-23(25,3)34-25)21(32-26)14(15)11-17(28)24(19,4)33-22(18)30/h7-9,12,14,16-21,27-29H,5-6,10-11H2,1-4H3/b13-8+/t14-,16+,17+,18+,19-,20-,21-,23+,24-,25-,26+/m1/s1
SMILES [C@]12([C@]([C@H](C=CC1)O)([C@]13OC=C4[C@H]([C@H]1O3)C[C@@H]([C@@]1([C@H]4[C@H](C(=O)O1)[C@H](O)/C(=C/CCC)/C)C)O)O2)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiHypocreaceaeAcremonium roseum I 4267 Ref.
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OrganismAcremonium roseum I 4267
ReferenceSassa,J.Antibiotics 51,(1998),967