input word = C00032850

Metabolite InformationStructural formula
Name Colopsinol D
Formula C71H118O24S
Mw 1386.77337543
CAS RN 310431-27-7
C_ID C00032850 ,
InChIKey SPWWTKVCQOETFN-NKKJJYLZNA-N
InChICode InChI=1S/C71H118O24S/c1-6-7-30-55-58(91-55)36-46(4)32-34-56-54(90-56)31-20-14-12-10-8-9-11-13-17-23-44(2)25-21-26-45(3)24-18-15-16-19-27-48(74)28-22-29-51(89-71-68(83)66(81)64(79)62(94-71)43-87-70-67(82)65(80)63(78)61(42-72)93-70)39-49(75)38-50(76)40-52-33-35-57(88-52)59-41-53(77)69(95-96(84,85)86)60(92-59)37-47(5)73/h6,8,10,13,17,21,25,44-45,47,49,51-73,75,77-83H,1,4,7,9,11-12,14-16,18-20,22-24,26-43H2,2-3,5H3,(H,84,85,86)/b10-8+,17-13+,25-21+/t44-,45-,47-,49+,51-,52+,53-,54-,55-,56-,57-,58-,59+,60-,61+,62+,63+,64+,65-,66-,67+,68+,69-,70+,71+/m0/s1
SMILES [C@H]1([C@@H](O[C@H](C[C@@H]1O)[C@@H]1CC[C@H](CC(=O)C[C@H](C[C@@H](O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)CCCC(=O)CCCCCC[C@@H](C/C=C/[C@H](C/C=C/CC/C=C/CCCC[C@H]2[C@@H](O2)CCC(=C)C[C@H]2[C@@H](O2)CCC=C)C)C)O)O1)C[C@@H](O)C)OS(=O)(=O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
ProtozoaGymnodiniaceaeAmphidinium sp. Ref.
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