input word = C00048609

Metabolite InformationStructural formula
Name Arguside D
(+)-Arguside D
Formula C56H88O26
Mw 1176.55638299
CAS RN 1071118-39-2
C_ID C00048609 ,
InChIKey LUOVUDBTXOVKBZ-QKQUKJCANA-N
InChICode InChI=1S/C56H88O26/c1-23(60)81-51(2,3)15-13-32(62)55(8)31-12-17-54(7)24-10-11-30-52(4,5)34(14-16-53(30,6)25(24)18-33(63)56(31,54)50(71)82-55)77-49-45(35(64)26(61)22-73-49)80-46-39(68)38(67)42(29(21-59)76-46)78-48-41(70)44(37(66)28(20-58)75-48)79-47-40(69)43(72-9)36(65)27(19-57)74-47/h18,24,26-31,33-49,57-59,61,63-70H,10-17,19-22H2,1-9H3/t24-,26+,27-,28-,29-,30+,31-,33+,34+,35+,36-,37-,38-,39-,40-,41-,42-,43+,44+,45-,46+,47+,48+,49+,53-,54+,55-,56+/m1/s1
SMILES C1=C2[C@H]([C@]3([C@]4([C@H]1O)[C@H](CC3)[C@](OC4=O)(C)C(=O)CCC(C)(C)OC(=O)C)C)CC[C@@H]1[C@@]2(CC[C@@H](C1(C)C)O[C@@H]1OC[C@@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)OC)O)CO)O)CO)O)O)O)O)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHolothuriidaeBohadschia argus Ref.
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