About: Shearinine A

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

bioactive natural product

Attributes	Values
rdf:type	Item
description	composé chimique (fr) chemische Verbindung (de) bioactive natural product (en) біоактивний натуральний продукт (uk)
rdfs:label	Shearinine A (en)
skos:prefLabel	Shearinine A (en)
name	Shearinine A (en)
isomeric SMILES	wds:Q77514875-E0EA69E6-E0E9-4226-A61F-79A7D00DBBD2
isomeric SMILES	CC1(C)C=C2c3cc4[nH]c5c(c4cc3CC2C(C)(C)O1)C[C@@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4O[C@@]3(CC[C@]2(C)[C@@]51C)OC4(C)C
instance of	wds:Q77514875-F8F63023-F70D-49C8-B7D2-3A9F742BF1A3
instance of	group of stereoisomers
subclass of	wds:Q77514875-04E527CE-7003-4A16-847C-086A6FA6327B wds:Q77514875-A0828E35-DF34-41B2-9E61-294DCC91784A
subclass of	indole-diterpenoid alkaloid 2,3,6-trimethylheptane monoterpenoid
found in taxon	wds:Q77514875-6B75A44F-1A60-4A11-811F-59D1153EAF88 wds:Q77514875-C92B0C32-E03A-4081-A36E-F27A27DC385C
found in taxon	Penicillium solitum Penicillium crustosum
UniChem compound ID	wds:Q77514875-09C9E742-066F-49B1-A3A2-3E5928E8F601
canonical SMILES	wds:Q77514875-DF92BA3B-EB1B-48A5-8E05-31AAA67740F4
InChI	wds:Q77514875-E1F6934A-5DA0-4B35-828F-30C72408B17D
InChIKey	wds:Q77514875-4BAA7504-17FE-48C7-AE3A-B71920EAFA4B
chemical formula	wds:Q77514875-374AE64C-FE80-45F0-8852-F15AE65D6840
PubChem CID	wds:Q77514875-EC10BD01-2796-4A6A-823E-B3B55FD90C0E
PubChem CID	http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID10460920
UniChem compound ID	32169623
canonical SMILES	O=C1C=C2C3(OC1C(O3)(C)C)CCC4(C)C2(O)CCC5CC=6C7=CC8=C(C=C7NC6C54C)C9=CC(OC(C)(C)C9C8)(C)C
InChI	InChI=1S/C37H45NO5/c1-31(2)18-24-21-16-26-22(13-19(21)14-25(24)32(3,4)42-31)23-15-20-9-10-36(40)28-17-27(39)30-33(5,6)43-37(28,41-30)12-11-34(36,7)35(20,8)29(23)38-26/h13,16-18,20,25,30,38,40H,9-12,14-15H2,1-8H3/t20-,25?,30-,34+,35+,36+,37-/m0/s1
InChIKey	YAGQIZPAJNEIKG-QIUCGPRRSA-N
chemical formula	C₃₇H₄₅NO₅
PubChem CID	10460920
mass	wds:Q77514875-42813A90-2581-4333-AF9C-36259485AA57
mass	583.32977354 (xsd:decimal)
Natural Product Atlas ID	wds:Q77514875-BFE6B756-C6A7-41C3-9251-D02A87C9A692
Natural Product Atlas ID	NPA013387
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q77514875
is subclass of of	shearinine A (1S,4R,5S,16R,23S,26S,30R)-26-hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8(20),9,11,18,27-hexaen-29-one (1R,4S,5R,16R,23R,26R,30S)-26-hydroxy-4,5,13,13,15,15,31,31-octamethyl-14,32,33-trioxa-7-azanonacyclo[28.2.1.01,27.04,26.05,23.06,21.08,20.010,18.011,16]tritriaconta-6(21),8(20),9,11,18,27-hexaen-29-one
is subclass of of	wds:Q105345380-2940F227-F468-4D1F-80CD-BC81CDA95A7B wds:Q105345381-19ADA324-BD11-42DE-89E8-E02BBAB38480 wds:Q105345382-FE2B2C68-7184-47A3-9ED9-5483DABD2050
is main subject of	Molecular Cloning and Functional Analysis of Gene Clusters for the Biosynthesis of Indole-Diterpenes in Penicillium crustosum and P. janthinellum.
is main subject of	wds:Q35715717-9B869FC9-CA19-43B3-8F77-363827816C1E

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