About: (1S,4E,6R,10R,12E,14S,15S,18S,19S)-19-benzyl-6,15-dihydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,16-triene-3,21-dione

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About: (1S,4E,6R,10R,12E,14S,15S,18S,19S)-19-benzyl-6,15-dihydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,16-triene-3,21-dione Goto Sponge NotDistinct Permalink

An Entity of Type : wikibase:Item, within Data Space : wikidata.demo.openlinksw.com associated with source document(s)

chemical compound

Attributes	Values
rdf:type	Item
description	химическое соединение (ru) chemical compound (en) composé chimique (fr) compositum chemicum (la) chemische Verbindung (de) քիմիական միացություն (hy) chemische verbinding (nl) compuestu químicu (ast) хімічна сполука (uk) রাসায়নিক যৌগ (bn) cheemsch Verbinnen (nds)
rdfs:label	(1S,4E,6R,10R,12E,14S,15S,18S,19S)-19-benzyl-6,15-dihydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,16-triene-3,21-dione (en)
skos:prefLabel	(1S,4E,6R,10R,12E,14S,15S,18S,19S)-19-benzyl-6,15-dihydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,16-triene-3,21-dione (en)
name	(1S,4E,6R,10R,12E,14S,15S,18S,19S)-19-benzyl-6,15-dihydroxy-10,16,17-trimethyl-2-oxa-20-azatricyclo[12.7.0.01,18]henicosa-4,12,16-triene-3,21-dione (en)
isomeric SMILES	wds:Q105251228-BD741E94-14E4-4ACD-BA6A-ECEF651EB2B4
isomeric SMILES	CC1=C(C)[C@H]2[C@H](Cc3ccccc3)NC(=O)[C@]23OC(=O)/C=C/[C@H](O)CCC[C@@H](C)C/C=C/[C@H]3[C@@H]1O
instance of	wds:Q105251228-C39425D2-1DE8-4AFA-89B8-75B4053C1ED0
instance of	type of chemical entity
subclass of	wds:Q105251228-60D15F7F-8FE2-42C8-84A6-A19BC95786A1 wds:Q105251228-8AA77AD3-2FF5-4A4A-B958-0225E8D7AC77
subclass of	macrolides cytochalasan alkaloid
found in taxon	wds:Q105251228-2AA5D829-D4EC-47F3-9E7D-F46354B9401E wds:Q105251228-D59C6126-C0CB-4035-87CF-6C610B0FDB24
found in taxon	Phoma Pyrenophora dematioidea
canonical SMILES	wds:Q105251228-C7BF9A8D-FCA6-45C8-8AA0-6C2E6F87ED2D
InChI	wds:Q105251228-AD3A2685-D29F-488B-A0E3-EE1452FA6FED
InChIKey	wds:Q105251228-74072964-F6E8-47DC-A80E-009D156B8346
chemical formula	wds:Q105251228-2BEB4C78-4A0B-4451-A315-A55374457744
PubChem CID	wds:Q105251228-0B541CAD-6EE0-4154-B9B1-AD6A65A61F0E
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID60150677
canonical SMILES	CC1=C(C)C2C(Cc3ccccc3)NC(=O)C23OC(=O)C=CC(O)CCCC(C)CC=CC3C1O
InChI	InChI=1S/C29H37NO5/c1-18-9-7-13-22(31)15-16-25(32)35-29-23(14-8-10-18)27(33)20(3)19(2)26(29)24(30-28(29)34)17-21-11-5-4-6-12-21/h4-6,8,11-12,14-16,18,22-24,26-27,31,33H,7,9-10,13,17H2,1-3H3,(H,30,34)/b14-8+,16-15+/t18-,22-,23+,24+,26+,27-,29-/m1/s1
InChIKey	SEJHGGVKMSZDDH-ZQLHMVIYSA-N
chemical formula	C₂₉H₃₇NO₅
PubChem CID	60150677
mass	wds:Q105251228-0E1B9E00-6933-417E-B252-E8DB00DF6954
mass	479.267173284 (xsd:decimal)
Natural Product Atlas ID	wds:Q105251228-AE18D225-1987-4558-9643-1D72455C4C82
Natural Product Atlas ID	NPA000398
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q105251228
is main subject of	Cytotoxic cytochalasins from the endozoic fungus Phoma sp. of the giant jellyfish Nemopilema nomurai The structures of cytochalasins A and B
is main subject of	wds:Q78431554-5134BC41-6396-475A-A2BC-FB3388F8DF91 wds:Q39368357-4EE4EA19-BC06-4F63-B62D-1006663D88C8

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