input word = C00015122

Metabolite InformationStructural formula
Name Phenylpyropene B
Formula C30H36O7
Mw 508.2461035
CAS RN 556013-83-3
C_ID C00015122 ,
InChIKey CBPHTUXBOQCTIG-DQDRZALTNA-N
InChICode InChI=1S/C30H36O7/c1-18(31)34-17-29(4)24-11-14-30(5)25(28(24,3)13-12-26(29)35-19(2)32)15-21-23(37-30)16-22(36-27(21)33)20-9-7-6-8-10-20/h6-10,16,24-26H,11-15,17H2,1-5H3/t24-,25-,26+,28+,29+,30-/m1/s1
SMILES o1c(cc2c(c1=O)C[C@H]1[C@](O2)(CC[C@@H]2[C@@]1(CC[C@@H]([C@]2(COC(=O)C)C)OC(=O)C)C)C)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiTrichocomaceaePenicillium griseofulvum F1959 Ref.
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