input word = C00045282

Metabolite InformationStructural formula
Name Dalmaisiose J
(-)-Dalmaisiose J
Formula C59H66O29
Mw 1238.36897615
CAS RN 418811-25-3
C_ID C00045282 ,
InChIKey LXKCJCXLNWANHT-FQMKDBTHNA-N
InChICode InChI=1S/C59H66O29/c1-77-36-23-31(11-19-35(36)65)14-22-43(68)83-51-39(26-62)81-58(88-59(28-79-42(67)21-13-30-9-17-34(64)18-10-30)54(46(71)38(25-61)87-59)86-55(76)32-5-3-2-4-6-32)53(85-56-49(74)47(72)44(69)37(24-60)80-56)52(51)84-57-50(75)48(73)45(70)40(82-57)27-78-41(66)20-12-29-7-15-33(63)16-8-29/h2-23,37-40,44-54,56-58,60-65,69-75H,24-28H2,1H3/b20-12+,21-13+,22-14+/t37-,38-,39-,40-,44-,45-,46-,47+,48+,49-,50-,51-,52+,53-,54+,56+,57+,58-,59+/m1/s1
SMILES COc1cc(/C=C/C(=O)O[C@H]2[C@H](O[C@@H]3O[C@H](COC(=O)/C=C/c4ccc(O)cc4)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O[C@]3(COC(=O)/C=C/c4ccc(O)cc4)O[C@H](CO)[C@@H](O)[C@@H]3OC(=O)c3ccccc3)O[C@@H]2CO)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala dalmaisiana Ref.
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