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Valorphin

PropertiesImageOccurences in reactions
MNX_IDMNXM162056Image of MNXM162056
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC44H60N8O12
charge0
mass892.43307
referencehmdb:HMDB0059789
InChIKeyCNYWVXYFCKFXLL-NMUVPRMFSA-N
InChIInChI=1S/C44H60N8O12/c1-22(2)35(45)40(59)50-36(23(3)4)41(60)49-32(19-25-12-14-27(54)15-13-25)43(62)52-18-8-11-33(52)39(58)48-31(20-26-21-46-29-10-7-6-9-28(26)29)38(57)51-37(24(5)53)42(61)47-30(44(63)64)16-17-34(55)56/h6-7,9-10,12-15,21-24,30-33,35-37,46,53-54H,8,11,16-20,45H2,1-5H3,(H,47,61)(H,48,58)(H,49,60)(H,50,59)(H,51,57)(H,55,56)(H,63,64)/t24-,30+,31+,32+,33+,35+,36+,37+/m1/s1
SMILESCC(C)[C@H](N)C(O)=N[C@H](C(O)=N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(O)=N[C@@H](Cc1c[nH]c2ccccc12)C(O)=N[C@H](C(O)=N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)C(C)C
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0059789 Valorphin
(2S)-2-{[(2S,3R)-2-{[(2S)-2-({[(2S)-1-[(2S)-2-{[(2S)-2-{[(2S)-2-amino-1-hydroxy-3-methylbutylidene]amino}-1-hydroxy-3-methylbutylidene]amino}-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-1,3-dihydroxybutylidene]amino}pentanedioic acid
hmdb:HMDB59789 secondary/obsolete/fantasy identifier