input word = C00000492

Metabolite InformationStructural formula
Name Phomopsichalasin
Formula C32H41NO4
Mw 503.3035588
CAS RN 163597-03-3
C_ID C00000492 ,
InChIKey AEKBQYOSHUYACR-HUBYWGRONA-N
InChICode InChI=1S/C32H41NO4/c1-17-7-12-23-24-25(19(3)14-29(23,5)13-17)30(6)15-18(2)20(4)26-31(37,16-21-8-10-22(34)11-9-21)33-28(36)32(26,30)27(24)35/h8-11,14-15,17,20,23-26,34,37H,7,12-13,16H2,1-6H3,(H,33,36)/t17-,20+,23-,24?,25?,26-,29+,30-,31+,32?/m0/s1
SMILES CC1=C[C@]2(C)[C@@H]3C(C)=C[C@]4(C)C[C@@H](C)CC[C@H]4[C@@H]3C(=O)[C@]23C(=O)N[C@@](O)(Cc2ccc(O)cc2)[C@@H]3[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiValsaceaePhomopsis sp. Ref.
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