input word = C00014570

Metabolite InformationStructural formula
Name Sorocenol B
Formula C31H28O7
Mw 512.18350325
CAS RN 164178-31-8
C_ID C00014570 ,
InChIKey FBBLPDBFYMNXIE-UHFFFAOYNA-N
InChICode InChI=1S/C31H28O7/c1-30(2)12-11-18-24(37-30)10-9-19(28(18)35)29(36)26-20-14-31(3,38-25-13-16(32)7-8-17(20)25)15-21(26)27-22(33)5-4-6-23(27)34/h4-13,15,20,26,32-35H,14H2,1-3H3/t20-,26-,31-/m1/s1
SMILES CC1(C)C=Cc2c(ccc(C(=O)C3C(c4c(O)cccc4O)=CC4(C)CC3c3ccc(O)cc3O4)c2O)O1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMoraceaeSorocea bonplandii Ref.
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OrganismSorocea bonplandii
ReferenceHano,Heterocycles,41,(1995),1035