input word = C00000691

Metabolite InformationStructural formula
Name Cerberalignan D
Formula C30H34O10
Mw 554.21519731
CAS RN 119403-22-4
C_ID C00000691 ,
InChIKey AZHFGDYUGSKMCA-UHFFFAOYNA-N
InChICode InChI=1S/C30H34O10/c1-36-24-10-17(4-6-22(24)33)27-20(13-31)19-8-16(9-26(38-3)29(19)40-27)12-30(35)15-39-28(21(30)14-32)18-5-7-23(34)25(11-18)37-2/h4-11,20-21,27-28,31-35H,12-15H2,1-3H3/t20-,21+,27-,28+,30-/m0/s1
SMILES COc1cc(C2Oc3c(OC)cc(CC4(O)COC(c5ccc(O)c(OC)c5)C4CO)cc3C2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeApocynaceaeCerbera odollam Ref.
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