input word = C00045288

Metabolite InformationStructural formula
Name Dalmaisiose P
(-)-Dalmaisiose P
Formula C67H80O35
Mw 1444.44801433
CAS RN 418811-91-3
C_ID C00045288 ,
InChIKey AGSFISNXCBMPLZ-NOWWQJFNNA-N
InChICode InChI=1S/C67H80O35/c1-30-48(76)52(80)55(83)63(92-30)93-37-18-12-33(24-40(37)89-4)15-21-47(75)97-58-43(27-70)95-66(102-67(29-91-46(74)20-14-32-11-17-36(72)39(23-32)88-3)61(51(79)42(26-69)101-67)100-62(86)34-8-6-5-7-9-34)60(99-64-56(84)53(81)49(77)41(25-68)94-64)59(58)98-65-57(85)54(82)50(78)44(96-65)28-90-45(73)19-13-31-10-16-35(71)38(22-31)87-2/h5-24,30,41-44,48-61,63-66,68-72,76-85H,25-29H2,1-4H3/b19-13+,20-14+,21-15+/t30-,41+,42+,43+,44+,48-,49+,50+,51+,52+,53-,54-,55+,56+,57+,58+,59-,60+,61-,63-,64-,65-,66+,67-/m0/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1COC(=O)/C=C/c1cc(c(cc1)O)OC)O[C@@H]1[C@@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)[C@H](O[C@@H]([C@H]1OC(=O)/C=C/c1cc(c(cc1)O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)OC)CO)O[C@]1([C@H]([C@@H]([C@H](O1)CO)O)OC(=O)c1ccccc1)COC(=O)/C=C/c1cc(c(cc1)O)OC)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaePolygalaceaePolygala dalmaisiana Ref.
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