input word = C00038185

Metabolite InformationStructural formula
Name 1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
(+)-1alpha,2alpha-Diacetoxy-6beta,9beta,15-tribenzoyloxy-beta-dihydroagarofuran
Formula C50H42O11
Mw 818.27271219
CAS RN 924310-44-1
C_ID C00038185 ,
InChIKey KPSZHLRCVCNGHG-OEIIQBSSNA-N
InChICode InChI=1S/C40H42O11/c1-24-21-31(47-25(2)41)34(48-26(3)42)39(23-46-35(43)27-15-9-6-10-16-27)32(49-36(44)28-17-11-7-12-18-28)22-30-33(40(24,39)51-38(30,4)5)50-37(45)29-19-13-8-14-20-29/h6-20,24,30-34H,21-23H2,1-5H3/t24-,30-,31+,32+,33-,34+,39-,40-/m1/s1
SMILES CC(=O)O[C@H]1C[C@@H](C)[C@]23OC(C)(C)[C@H](C[C@H](OC(=O)c4ccccc4)[C@]2(COC(=O)c2ccccc2)[C@H]1OC(C)=O)C3OC(=O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeMicrotropis fokienensis Ref.
PlantaeCelastraceaeMicrotropis japonica Ref.
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