input word = C00050029

Metabolite InformationStructural formula
Name Camaldulensic acid
(+)-Camaldulensic acid
Formula C31H50O5
Mw 502.36582471
CAS RN 184090-85-5
C_ID C00050029 ,
InChIKey IKIYIAJFBKHTIG-CZSFQNQONA-N
InChICode InChI=1S/C31H50O5/c1-18-19(17-32)8-13-31(26(34)35)15-14-29(5)20(24(18)31)16-21(36-7)25-28(4)11-10-23(33)27(2,3)22(28)9-12-30(25,29)6/h16,18-19,21-25,32-33H,8-15,17H2,1-7H3,(H,34,35)/t18-,19-,21-,22-,23-,24-,25+,28-,29+,30+,31-/m0/s1
SMILES CO[C@@H]1C=C2[C@@H]3[C@@H](C)[C@H](CO)CC[C@]3(C(=O)O)CC[C@@]2(C)[C@]2(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]3(C)[C@@H]12
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus camaldulensis Ref.
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