input word = C00055213

Metabolite InformationStructural formula
Name Azaspiracid 10
Formula C47H71NO13
Mw 857.49254136
CAS RN 629656-59-3
C_ID C00055213
InChIKey OQAYNQAOZANDDU-PVPVOSDPSA-N
InChICode InChI=1S/C47H71NO13/c1-25-15-32(10-8-9-11-39(50)51)55-43(19-25)12-13-47(61-43)30(6)17-34-35(58-47)18-37(54-34)42(52)46(53)22-33(49)31(7)40(60-46)28(4)21-44-20-26(2)16-36(56-44)41-38(57-44)23-45(59-41)29(5)14-27(3)24-48-45/h8,10,19,26-27,29-38,40-42,48-49,52-53H,4,9,11-18,20-24H2,1-3,5-7H3,(H,50,51)/b10-8+/t26-,27+,29-,30+,31+,32-,33+,34+,35+,36+,37-,38+,40-,41+,42+,43-,44-,45-,46-,47-/m1/s1
SMILES C=C(C[C@]12C[C@H](C)C[C@H](O1)[C@@H]1O[C@@]3(C[C@@H]1O2)NC[C@@H](C)C[C@H]3C)[C@H]1O[C@@](O)([C@@H](O)[C@H]2C[C@@H]3O[C@@]4(CC[C@]5(C=C(C)C[C@@H](/C=C/CCC(=O)O)O5)O4)[C@@H](C)C[C@@H]3O2)C[C@H](O)[C@@H]1C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
--Mytilus edulis Ref.
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