input word = C00048608

Metabolite InformationStructural formula
Name Arguside C
Formula C67H110O33
Mw 1442.69293604
CAS RN 1000701-33-6
C_ID C00048608 ,
InChIKey QWPAJFDQSRGEFG-CRVVSXPBNA-N
InChICode InChI=1S/C67H110O33/c1-26(2)11-10-16-66(7)36-14-18-65(6)27-12-13-35-63(3,4)38(15-17-64(35,5)28(27)19-37(73)67(36,65)62(85)100-66)95-61-55(43(78)34(25-88-61)94-57-48(83)53(41(76)31(22-70)89-57)97-58-46(81)51(86-8)39(74)29(20-68)90-58)99-56-45(80)44(79)50(33(24-72)93-56)96-60-49(84)54(42(77)32(23-71)92-60)98-59-47(82)52(87-9)40(75)30(21-69)91-59/h19,26-27,29-61,68-84H,10-18,20-25H2,1-9H3/t27-,29-,30-,31-,32-,33-,34-,35-,36-,37+,38+,39-,40-,41-,42-,43+,44-,45-,46-,47-,48-,49-,50-,51+,52+,53+,54+,55-,56+,57+,58+,59+,60+,61+,64-,65+,66+,67+/m1/s1
SMILES CO[C@@H]1[C@@H](O)[C@H](O[C@@H]2[C@@H](O)[C@H](OC3CO[C@@H](O[C@H]4CC[C@]5(C)C6=C[C@H](O)[C@]78C(=O)O[C@@](C)(CCCC(C)C)[C@H]7CC[C@@]8(C)[C@@H]6CC[C@H]5C4(C)C)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](OC)[C@H]6O)[C@H]5O)[C@H](O)[C@H]4O)[C@H]3O)O[C@H](CO)[C@H]2O)O[C@H](CO)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
AnimaliaHolothuriidaeBohadschia argus Ref.
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