input word = C00045930

Metabolite InformationStructural formula
Name Eucalyptanoic acid
Formula C30H46O3
Mw 454.34469533
CAS RN 226562-46-5
C_ID C00045930 ,
InChIKey KICUTMUDQMLBSF-PVWQDQRMNA-N
InChICode InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8-9,20-21,23,31H,10-18H2,1-7H3,(H,32,33)/t20-,21-,23-,27-,28+,29+,30-/m0/s1
SMILES CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC=C4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus camaldulensis var.obtusa Ref.
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