input word = C00045284

Metabolite InformationStructural formula
Name Dalmaisiose L
(-)-Dalmaisiose L
Formula C60H68O30
Mw 1268.37954084
CAS RN 418811-44-6
C_ID C00045284 ,
InChIKey GHVLMMXLLJQWQX-YWVMUNPQNA-N
InChICode InChI=1S/C60H68O30/c1-78-36-22-30(10-17-34(36)65)13-20-42(67)80-27-41-46(71)49(74)51(76)58(84-41)86-53-52(85-44(69)21-14-31-11-18-35(66)37(23-31)79-2)40(26-63)83-59(54(53)87-57-50(75)48(73)45(70)38(24-61)82-57)90-60(28-81-43(68)19-12-29-8-15-33(64)16-9-29)55(47(72)39(25-62)89-60)88-56(77)32-6-4-3-5-7-32/h3-23,38-41,45-55,57-59,61-66,70-76H,24-28H2,1-2H3/b19-12+,20-13+,21-14+/t38-,39-,40-,41-,45-,46-,47-,48+,49+,50-,51-,52-,53+,54-,55+,57-,58+,59-,60+/m1/s1
SMILES COc1cc(/C=C/C(=O)OC[C@H]2O[C@@H](O[C@@H]3[C@@H](OC4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O[C@]4(COC(=O)/C=C/c5ccc(O)cc5)O[C@H](CO)[C@@H](O)[C@@H]4OC(=O)c4ccccc4)O[C@H](CO)[C@H]3OC(=O)/C=C/c3ccc(O)c(OC)c3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala dalmaisiana Ref.
zoom in