input word = C00035698

Metabolite InformationStructural formula
Name Netzahualcoyondiol
Formula C30H38O6
Mw 494.26683895
CAS RN 113579-08-1
C_ID C00035698 ,
InChIKey APGPWXZLGUDEGW-FOBWCSOFNA-N
InChICode InChI=1S/C30H38O6/c1-15-13-29(5)21(14-30(6,26(35)36-7)25(34)24(29)33)28(4)11-10-27(3)18(22(15)28)9-8-17-16(2)23(32)20(31)12-19(17)27/h8-9,12,21,24-25,32-34H,10-11,13-14H2,1-7H3/t21-,24+,25-,27?,28-,29+,30-/m0/s1
SMILES COC(=O)[C@@]1(C)C[C@@H]2[C@@](C)(CC(C)=C3C4=CC=C5C(=CC(=O)C(O)=C5C)[C@]4(C)CC[C@]32C)[C@H](O)[C@@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeCheiloclinium cognatum Ref.
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