input word = C00039464

Metabolite InformationStructural formula
Name Itoside E
(-)-Itoside E
Formula C27H26O11
Mw 526.14751167
CAS RN 1000070-01-8
C_ID C00039464 ,
InChIKey UTRVZPDCXSMOPG-SRYNIGNHNA-N
InChICode InChI=1S/C27H26O11/c28-13-21-22(31)23(32)24(38-25(33)15-6-2-1-3-7-15)27(37-21)36-20-11-10-17(29)12-16(20)14-35-26(34)18-8-4-5-9-19(18)30/h1-12,21-24,27-32H,13-14H2/t21-,22-,23+,24-,27-/m1/s1
SMILES O=C(O[C@H]1[C@H](Oc2ccc(O)cc2COC(=O)c2ccccc2O)O[C@H](CO)[C@@H](O)[C@@H]1O)c1ccccc1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFlacourtiaceaeItoa orientalis Ref.
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