input word = C00032851

Metabolite InformationStructural formula
Name Colopsinol E
Formula C65H110O20S
Mw 1242.73111668
CAS RN 310431-28-8
C_ID C00032851 ,
InChIKey YSGAGYBVRVQTFQ-VLRBKFSWNA-N
InChICode InChI=1S/C65H110O20S/c1-6-7-33-55-58(82-55)37-45(4)35-36-56-54(81-56)34-20-14-12-10-8-9-11-13-17-24-43(2)26-21-27-44(3)25-18-15-16-19-28-47(68)29-22-30-49(80-65-63(76)62(75)61(74)60(42-66)84-65)39-48(69)40-52(72)50(70)31-23-32-51(71)57-41-53(73)64(85-86(77,78)79)59(83-57)38-46(5)67/h6,8,10,13,17,21,26,43-44,46,48-51,53-67,69-71,73-76H,1,4,7,9,11-12,14-16,18-20,22-25,27-42H2,2-3,5H3,(H,77,78,79)/b10-8+,17-13+,26-21+/t43-,44+,46-,48+,49+,50+,51+,53-,54+,55+,56+,57-,58+,59-,60-,61-,62+,63-,64+,65-/m1/s1
SMILES [C@H]1([C@H](O[C@H](C[C@H]1O)[C@H](CCC[C@@H](C(=O)C[C@H](C[C@@H](O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)CCCC(=O)CCCCCC[C@@H](C/C=C/[C@@H](C/C=C/CC/C=C/CCCC[C@H]1[C@@H](O1)CCC(=C)C[C@H]1[C@@H](O1)CCC=C)C)C)O)O)O)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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