input word = C00046647

Metabolite InformationStructural formula
Name Camaldulin
Formula C31H46O4
Mw 482.33960996
CAS RN 208997-68-6
C_ID C00046647 ,
InChIKey NHMPNUDNVZLPNC-UHFFFAOYNA-N
InChICode InChI=1S/C31H46O4/c1-19-8-14-30-17-16-29(7)28(6)13-9-21-26(3,4)23(34-18-32)11-12-27(21,5)22(28)10-15-31(29,35-25(30)33)24(30)20(19)2/h10,15,18-24H,8-9,11-14,16-17H2,1-7H3/t19-,20-,21+,22+,23-,24+,27+,28-,29-,30-,31-/m0/s1
SMILES C1[C@@H](C([C@@H]2[C@@](C1)([C@@H]1[C@](CC2)([C@]2([C@]3(C=C1)[C@H]1[C@@](CC2)(CC[C@@H]([C@@H]1C)C)C(=O)O3)C)C)C)(C)C)OC=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrtaceaeEucalyptus camaldulensis var.obtusa Ref.
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