input word = C00003512

Metabolite InformationStructural formula
Name Cyclamin
Formula C58H94O27
Mw 1222.5982478
CAS RN 23643-76-7
C_ID C00003512 ,
InChIKey JPEQATLMKATGAQ-WLKPVDMXNA-N
InChICode InChI=1S/C58H94O27/c1-52(2)29-7-11-55(5)30(8-12-58-31-15-53(3,22-62)13-14-57(31,23-77-58)32(64)16-56(55,58)6)54(29,4)10-9-33(52)82-50-45(84-49-43(74)40(71)36(67)26(18-60)79-49)38(69)28(21-76-50)81-51-46(85-47-41(72)34(65)24(63)20-75-47)44(37(68)27(19-61)80-51)83-48-42(73)39(70)35(66)25(17-59)78-48/h22,24-51,59-61,63-74H,7-21,23H2,1-6H3/t24-,25+,26+,27+,28-,29-,30+,31+,32+,33-,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+,44-,45+,46+,47+,48-,49-,50-,51-,53-,54-,55+,56-,57+,58-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@]3(CC1)[C@H]1[C@@]([C@@H](C2)O)(CC[C@](C1)(C)C=O)CO3)C)C)C)(C)C)O[C@H]1[C@@H]([C@H]([C@H](CO1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O[C@@H]1[C@@H]([C@@H]([C@H](CO1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeMyrsinaceaeArdisia japonica Ref.
PlantaeMyrsinaceaeCyclamen europaeum Ref.
PlantaeMyrsinaceaeCyclamen europeum Ref.
PlantaeMyrsinaceaeCyclamen persicum Ref.
PlantaeMyrsinaceaeCyclamen purpurascens Ref.
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