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N-Methylrosmaricine

PropertiesImageOccurences in reactions
MNX_IDMNXM1525382Image of MNXM1525382
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC21H29NO4
charge0
mass359.466
referencehmdb:HMDB0302931
InChIKeyRCODLXKABFVUOP-UHFFFAOYSA-N
InChIInChI=1S/C21H29NO4/c1-10(2)11-9-12-13(16(24)15(11)23)21-8-6-7-20(3,4)18(21)17(14(12)22-5)26-19(21)25/h9-10,14,17-18,22-24H,6-8H2,1-5H3
SMILES[CH3:1][CH:10]([CH3:2])[c:11]1[cH:9][c:12]2[c:13]([c:16]([OH:24])[c:15]1[OH:23])[C:21]13[CH2:8][CH2:6][CH2:7][C:20]([CH3:3])([CH3:4])[CH:18]1[CH:17]([CH:14]2[NH:22][CH3:5])[O:26][C:19]3=[O:25]
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Similar chemical compounds in external resources
IdentifierDescription
hmdb:HMDB0302931 N-Methylrosmaricine
3,4-dihydroxy-11,11-dimethyl-8-(methylamino)-5-(propan-2-yl)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one
3,4-dihydroxy-5-isopropyl-11,11-dimethyl-8-(methylamino)-16-oxatetracyclo[7.5.2.0¹,¹⁰.0²,⁷]hexadeca-2,4,6-trien-15-one