input word = C00044819

Metabolite InformationStructural formula
Name Intercedenside C
(-)-Intercedenside C
Formula C55H84O27S
Mw 1208.49206821
CAS RN 588728-83-0
C_ID C00044819 ,
InChIKey ABUYDFJTKKJHKG-ANMMQRLXNA-N
InChICode InChI=1S/C55H84O27S/c1-24(2)11-10-16-53(8)55(67)34(74-25(3)58)19-52(7)27-12-13-32-50(4,5)33(15-17-51(32,6)26(27)14-18-54(52,55)49(66)81-53)77-48-44(36(61)31(23-73-48)82-83(68,69)70)80-46-38(63)37(62)42(30(21-57)76-46)79-45-39(64)41(28(59)22-72-45)78-47-40(65)43(71-9)35(60)29(20-56)75-47/h10-12,16,26,28-48,56-57,59-65,67H,13-15,17-23H2,1-9H3,(H,68,69,70)/b16-10+/t26-,28-,29-,30-,31-,32+,33+,34+,35-,36+,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,47+,48+,51-,52+,53+,54-,55+/m1/s1
SMILES [C@@H]1([C@@H]([C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@H](O)CO[C@H]([C@@H]1O)O[C@@H]1[C@@H](O)[C@H]([C@@H](O[C@@H]1CO)O[C@H]1[C@@H](OC[C@H]([C@@H]1O)OS(=O)(=O)O)O[C@H]1CC[C@]2([C@H](C1(C)C)CC=C1[C@H]2CC[C@@]23[C@]1(C[C@@H]([C@@]2([C@@](OC3=O)(/C=C/C=C(C)C)C)O)OC(=O)C)C)C)O)O)OC)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mensamria intercedens Lampert Ref.
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