input word = C00014704

Metabolite InformationStructural formula
Name Dehydroxyhexaspermone C
Formula C33H28O9
Mw 568.17333249
CAS RN 618068-78-3
C_ID C00014704 ,
InChIKey XCWXPZXXHWLHDD-JMHJZLBZNA-N
InChICode InChI=1S/C33H28O9/c1-38-20-10-6-18(7-11-20)27-30(36)23-13-12-21(39-2)15-25(23)41-32(27)33-28(17-4-8-19(34)9-5-17)31(37)29-24(35)14-22(40-3)16-26(29)42-33/h4-16,27-28,32-35H,1-3H3/t27-,28+,32-,33+/m0/s1
SMILES c1(ccc2c(c1)O[C@@H]([C@H](C2=O)c1ccc(cc1)OC)[C@@H]1Oc2c(C(=O)[C@H]1c1ccc(cc1)O)c(cc(c2)OC)O)OC
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeOchnaceaeOchna macrocalyx Ref.
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OrganismOchna macrocalyx
ReferenceTang,Planta Med.,69,(2003),247