1,3-benzodioxol-5-yl-[(8S,9S,10S)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:126105)

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CHEBI:126105 - 1,3-benzodioxol-5-yl-[(8S,9S,10S)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone

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ChEBI ID	CHEBI:126105
ChEBI Name	1,3-benzodioxol-5-yl-[(8S,9S,10S)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone
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Downloads	Molfile

Formula	C27H30N2O5
Net Charge	0
Average Mass	462.546
Monoisotopic Mass	462.21547
SMILES	C[C@H](O)C#Cc1ccc([C@@H]2[C@@H](CO)N3CCCCN(C(=O)c4ccc5c(c4)OCO5)C[C@H]23)cc1
InChI	InChI=1S/C27H30N2O5/c1-18(31)4-5-19-6-8-20(9-7-19)26-22-15-28(12-2-3-13-29(22)23(26)16-30)27(32)21-10-11-24-25(14-21)34-17-33-24/h6-11,14,18,22-23,26,30-31H,2-3,12-13,15-17H2,1H3/t18-,22+,23+,26-/m0/s1
InChIKey	UELXIDKHDZHDNE-WOYNUSMLSA-N

ChEBI Ontology

Outgoing Relation(s)
	1,3-benzodioxol-5-yl-[(8S,9S,10S)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:126105) is a azetidines (CHEBI:38777)
	1,3-benzodioxol-5-yl-[(8S,9S,10S)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:126105) is a benzenes (CHEBI:22712)
	1,3-benzodioxol-5-yl-[(8S,9S,10S)-9-[4-[(3S)-3-hydroxybut-1-ynyl]phenyl]-10-(hydroxymethyl)-1,6-diazabicyclo[6.2.0]decan-6-yl]methanone (CHEBI:126105) is a ring assembly (CHEBI:36820)

Manual Xrefs	Databases
LSM-37672	LINCS