input word = C00060827

Metabolite InformationStructural formula
Name Dihydroagarofuran
Formula C33H38O9
Mw 578.25158281
CAS RN 220209-72-3
C_ID C00060827
InChIKey HFAVLOIYMYQWNG-GLUGMEAKSA-N
InChICode InChI=1S/C33H38O9/c1-21(34)40-25-17-18-31(4,38)33-28(36)24(30(2,3)42-33)19-26(41-29(37)23-13-9-6-10-14-23)32(25,33)20-39-27(35)16-15-22-11-7-5-8-12-22/h5-16,24-26,28,36,38H,17-20H2,1-4H3/b16-15+/t24-,25+,26+,28-,31+,32+,33+/m1/s1
SMILES CC(=O)OC1CCC(C)(O)C23OC(C)(C)C(CC(OC(=O)c4ccccc4)C12COC(=O)C=Cc1ccccc1)C3O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeCelastraceaeTripterygium wilfordii Ref.
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