input word = C00035566

Metabolite InformationStructural formula
Name Cognatine
Formula C31H38O7
Mw 522.26175357
CAS RN 762293-76-5
C_ID C00035566 ,
InChIKey UEULPUBYHGYCFW-UNQPXLLBNA-N
InChICode InChI=1S/C31H38O7/c1-15-13-30(5)21(14-31(6,27(36)38-8)26(35)25(30)34)29(4)10-9-28(3)17-11-20(33)24(37-7)16(2)22(17)19(32)12-18(28)23(15)29/h11-12,21,26,33,35H,9-10,13-14H2,1-8H3/t21-,26-,28-,29-,30+,31-/m0/s1
SMILES COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC(C)=C3C4=CC(=O)c5c(cc(O)c(OC)c5C)[C@]4(C)CC[C@]32C)C(=O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCheiloclinium cognatum Ref.
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