input word = C00023075

Metabolite InformationStructural formula
Name 3'-Dehydrouriolide
Formula C40H52O5
Mw 612.38147477
CAS RN 168781-50-8
C_ID C00023075 ,
InChIKey NGKSEVYOCARGLQ-FYOKLXJPNA-N
InChICode InChI=1S/C40H52O5/c1-27(15-12-16-28(2)19-20-40-38(7,8)25-33(42)26-39(40,9)45-40)13-10-11-14-29(3)21-34-23-31(36(43)44-34)17-18-35-30(4)22-32(41)24-37(35,5)6/h10-16,19-23,33,35,42H,17-18,24-26H2,1-9H3/b11-10+,15-12+,20-19+,27-13+,28-16+,29-14+,34-21-/t33-,35-,39+,40-/m0/s1
SMILES CC1=CC(=O)CC(C)(C)[C@H]1CCC1=C/C(=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)OC1=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ViridiplantaeMamiellaceaeBathycoccus prasinos Ref.
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