input word = C00015216

Metabolite InformationStructural formula
Name Phenylpyropene C
S 14-95
Formula C28H34O5
Mw 450.2406242
CAS RN 419532-92-6
C_ID C00015216 ,
InChIKey MIBRSIZECYPMLX-QUXJBBSJNA-N
InChICode InChI=1S/C28H34O5/c1-17(29)31-24-12-13-27(4)22(26(24,2)3)11-14-28(5)23(27)15-19-21(33-28)16-20(32-25(19)30)18-9-7-6-8-10-18/h6-10,16,22-24H,11-15H2,1-5H3/t22-,23+,24-,27-,28+/m0/s1
SMILES CC(=O)O[C@H]1CC[C@]2(C)[C@H]3Cc4c(cc(-c5ccccc5)oc4=O)O[C@]3(C)CC[C@H]2C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium griseofulvum F1959 Ref.
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