input word = C00039463

Metabolite InformationStructural formula
Name Itoside D
(-)-Itoside D
Formula C27H28O12
Mw 544.15807636
CAS RN 1000070-00-7
C_ID C00039463 ,
InChIKey XBIKYSOVRUWWOS-QNLQVNNRNA-N
InChICode InChI=1S/C27H28O12/c28-13-19-23(39-24(33)15-6-2-1-3-7-15)21(31)22(32)25(38-19)37-18-10-9-17(29)12-16(18)14-36-26(34)27(35)11-5-4-8-20(27)30/h1-3,5-7,9-12,19,21-23,25,28-29,31-32,35H,4,8,13-14H2/t19-,21+,22-,23-,25-,27-/m1/s1
SMILES O=C(O[C@H]1[C@H](O)[C@@H](O)[C@H](Oc2ccc(O)cc2COC(=O)C2(O)C=CCCC2=O)O[C@@H]1CO)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeItoa orientalis Ref.
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