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CHEBI:202528 - 10-Hydroxy-18-N-2-naphtyl-N-phenylaminobetae-none

ChEBI IDCHEBI:202528
ChEBI Name10-Hydroxy-18-N-2-naphtyl-N-phenylaminobetae-none
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H45NO5
Net Charge0
Average Mass583.769
Monoisotopic Mass583.32977
SMILESCCC(C)[C@@H]1[C@@](C)(C(=O)/C=C/N(c2ccccc2)c2ccc3ccccc3c2)[C@H]2[C@H](C)C[C@@](C)(O)C[C@]2(O)C(=O)[C@@]1(C)O
InChIInChI=1S/C37H45NO5/c1-7-24(2)31-35(5,32-25(3)22-34(4,41)23-37(32,43)33(40)36(31,6)42)30(39)19-20-38(28-15-9-8-10-16-28)29-18-17-26-13-11-12-14-27(26)21-29/h8-21,24-25,31-32,41-43H,7,22-23H2,1-6H3/b20-19+/t24?,25-,31-,32-,34-,35-,36+,37-/m1/s1
InChIKeyPBODNUVAXAPXJH-YTOGWHTISA-N
Species of MetaboliteComponentSourceComments
Microsphaeropsisspecies (ncbitaxon:1874263) - DOI (10.1021/np9905259)
ChEBI Ontology
Outgoing Relation(s)
10-Hydroxy-18-N-2-naphtyl-N-phenylaminobetae-none (CHEBI:202528) is a naphthalenes (CHEBI:25477)
IUPAC Name 
(2S,3R,4R,4aR,5R,7R,8aR)-3-butan-2-yl-2,7,8a-trihydroxy-2,4,5,7-tetramethyl-4-[(E)-3-(N-naphthalen-2-ylanilino)prop-2-enoyl]-4a,5,6,8-tetrahydro-3H-naphthalen-1-one
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