input word = C00039381

Metabolite InformationStructural formula
Name Homaloside D
Formula C27H28O12
Mw 544.15807636
CAS RN 149155-19-1
C_ID C00039381 ,
InChIKey WVZFLDUSZYAGPC-UHFFFAOYNA-N
InChICode InChI=1S/C27H28O12/c28-17-9-10-18(16(12-17)13-37-26(34)27(35)11-5-4-8-20(27)29)38-25-23(32)22(31)21(30)19(39-25)14-36-24(33)15-6-2-1-3-7-15/h1-3,5-7,9-12,19,21-23,25,28,30-32,35H,4,8,13-14H2/t19-,21-,22-,23-,25-,27-/m1/s1
SMILES O=C(OCC1OC(Oc2ccc(O)cc2COC(=O)C2(O)C=CCCC2=O)C(O)C(O)C1O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeItoa orientalis Ref.
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