input word = C00040910

Metabolite InformationStructural formula
Name Carnaubadiol
Formula C31H54O2
Mw 458.41238097
CAS RN 4547-30-2
C_ID C00040910 ,
InChIKey BPDZJMCTHRVRNC-DHJBPNQSNA-N
InChICode InChI=1S/C31H54O2/c1-20(2)21(3)12-19-31(9,33)23-13-17-29(7)22(23)10-11-25-28(6)16-15-26(32)27(4,5)24(28)14-18-30(25,29)8/h21-26,32-33H,1,10-19H2,2-9H3/t21-,22-,23+,24+,25-,26+,28+,29-,30-,31+/m1/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H](CC1)[C@H](CC2)[C@](CC[C@H](C(=C)C)C)(O)C)C)C)C)(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMeliaceaeTrichilia estipulata Ref.
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