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Pectenotoxin 2

PropertiesImageOccurences in reactions
MNX_IDMNXM1108453Image of MNXM1108453
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC47H70O14
charge0
mass858.47656
referencehmdb:HMDB0033491
InChIKeyPTKFEDGHUVZLPL-QSCLRLNNSA-N
InChIInChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3/b11-10-,26-21-
SMILESCC1=C/C(C)CC2(C)CCC(O2)C23CCC(C)(CC(O2)C2OC(C)(CC2=O)C(O)C2CCC4(CCCC(O4)C(C)C(=O)OC4CC(C5(O)OCCC(C)C5O)OC4\C=C/1)O2)O3
Parent-child relations graph
Deprecated MNXref IDs graph
Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0033491 Pectenotoxin 2
(8E,10E)-14-(2,3-dihydroxy-4-methyloxan-2-yl)-28-hydroxy-5,7,9,19,29,35-hexamethyl-13,17,38,39,40,41,42,43-octaoxaoctacyclo[31.4.1.1^{1,35}.1^{2,5}.1^{20,24}.1^{24,27}.1^{29,32}.0^{12,16}]tritetraconta-8,10-diene-18,31-dione
hmdb:HMDB33491 secondary/obsolete/fantasy identifier