input word = C00050030

Metabolite InformationStructural formula
Name Camaldulic acid
(+)-Camaldulic acid
Formula C32H50O5
Mw 514.36582471
CAS RN 184090-84-4
C_ID C00050030 ,
InChIKey SZJHUSHDSGMAPF-REBRTPEZNA-N
InChICode InChI=1S/C32H50O5/c1-19-25-21-9-10-23-28(5)13-12-24(34)27(3,4)22(28)11-14-30(23,7)29(21,6)15-17-32(25,26(35)36)18-16-31(19,8)37-20(2)33/h9,19,22-25,34H,10-18H2,1-8H3,(H,35,36)/t19-,22+,23-,24+,25+,28+,29-,30-,31+,32-/m1/s1
SMILES CC(=O)O[C@@]1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus camaldulensis Ref.
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OrganismEucalyptus camaldulensis
ReferenceBegum,J.Nat.Prod.,60,(1997),20