SPIRO[NAPHTHALENE-2(3H),3'(10'H)-PENTALENO[1,2-B]NAPHTHALENE]-3,10'-DIONE, 2'-[(2-AMINO-2-DEOXY-B-D-GULOPYRANOSYL)OXY]-1,1',2',3'A,4,10'A-HEXAHYDRO-,(2'R,3'AS,10'AR)-(9CI)NAPHTHALENE]-1',2,3,3'A,4,10'A-HEXAHYDRO-2,10'-DIONE (CHEBI:41894)

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CHEBI:41894 - SPIRO[NAPHTHALENE-2(3H),3'(10'H)-PENTALENO[1,2-B]NAPHTHALENE]-3,10'-DIONE, 2'-[(2-AMINO-2-DEOXY-B-D-GULOPYRANOSYL)OXY]-1,1',2',3'A,4,10'A-HEXAHYDRO-,(2'R,3'AS,10'AR)-(9CI)NAPHTHALENE]-1',2,3,3'A,4,10'A-HEXAHYDRO-2,10'-DIONE

Default Structure

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ChEBI ID	CHEBI:41894
ChEBI Name	SPIRO[NAPHTHALENE-2(3H),3'(10'H)-PENTALENO[1,2-B]NAPHTHALENE]-3,10'-DIONE, 2'-[(2-AMINO-2-DEOXY-B-D-GULOPYRANOSYL)OXY]-1,1',2',3'A,4,10'A-HEXAHYDRO-,(2'R,3'AS,10'AR)-(9CI)NAPHTHALENE]-1',2,3,3'A,4,10'A-HEXAHYDRO-2,10'-DIONE
Stars
Last Modified	16 May 2008
Downloads	Molfile

Formula	C31H31NO7
Net Charge	0
Average Mass	529.589
Monoisotopic Mass	529.21005
SMILES	[H]OC([H])([H])[C@@]1([H])O[C@@]([H])(O[C@@]2([H])C([H])([H])[C@]3([H])C(=O)c4c(c([H])c5c([H])c([H])c([H])c([H])c5c4[H])[C@]3([H])[C@@]23C(=O)C([H])([H])C([H])([H])c2c([H])c([H])c([H])c([H])c23)[C@]([H])(N([H])[H])[C@@]([H])(O[H])[C@]1([H])O[H]
InChI	InChI=1S/C31H31NO7/c32-26-29(37)28(36)22(14-33)38-30(26)39-24-13-20-25(31(24)21-8-4-3-5-15(21)9-10-23(31)34)18-11-16-6-1-2-7-17(16)12-19(18)27(20)35/h1-8,11-12,20,22,24-26,28-30,33,36-37H,9-10,13-14,32H2/t20-,22+,24-,25-,26+,28+,29+,30-,31-/m0/s1
InChIKey	QJIOPAVNMIETIF-DERWUGRYSA-N

ChEBI Ontology

Outgoing Relation(s)
	SPIRO[NAPHTHALENE-2(3H),3'(10'H)-PENTALENO[1,2-B]NAPHTHALENE]-3,10'-DIONE, 2'-[(2-AMINO-2-DEOXY-B-D-GULOPYRANOSYL)OXY]-1,1',2',3'A,4,10'A-HEXAHYDRO-,(2'R,3'AS,10'AR)-(9CI)NAPHTHALENE]-1',2,3,3'A,4,10'A-HEXAHYDRO-2,10'-DIONE (CHEBI:41894) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(1S,2'S,3a'R,10a'S)-2,10'-dioxo-1',3,3a',4,10',10a'-hexahydro-2H,2'H-spiro[naphthalene-1,3'-pentaleno[1,2-b]naphthalen]-2'-yl 2-amino-2-deoxy-beta-D-glucopyranoside	PDBeChem
SPIRO[NAPHTHALENE-2(3H),3'(10'H)-PENTALENO[1,2-B]NAPHTHALENE]-3,10'-DIONE, 2'-[(2-AMINO-2-DEOXY-B-D-GULOPYRANOSYL)OXY]-1,1',2',3'A,4,10'A-HEXAHYDRO-,(2'R,3'AS,10'AR)-(9CI)NAPHTHALENE]-1',2,3,3'A,4,10'A-HEXAHYDRO-2,10'-DIONE	PDBeChem

Manual Xrefs	Databases
DDI	PDBeChem