input word = C00033231

Metabolite InformationStructural formula
Name Myrica acid
(-)-Myrica acid
Formula C30H44O4
Mw 468.32395989
CAS RN 310897-68-8
C_ID C00033231 ,
InChIKey MRZDEOWEUAMNTO-TYZSOSGNNA-N
InChICode InChI=1S/C30H44O4/c1-25(2)12-14-30(24(33)34)15-13-27(5)18(19(30)17-25)8-9-21-28(27,6)11-10-20-26(3,4)22(31)16-23(32)29(20,21)7/h8-9,20-22,31H,10-17H2,1-7H3,(H,33,34)/t20-,21-,22-,27+,28+,29-,30-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1=O)([C@@H]1[C@@](CC2)([C@]2(C(=C3[C@@](CC2)(CCC(C3)(C)C)C(=O)O)C=C1)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyricaceaeMyrica cerifera L. Ref.
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OrganismMyrica cerifera L.
ReferenceNagai,Chem.Pharm.Bull.,48,(2000),1427