Bipolarolide G (CHEBI:226458)

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CHEBI:226458 - Bipolarolide G

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ChEBI ID	CHEBI:226458
ChEBI Name	Bipolarolide G
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H41NO4
Net Charge	0
Average Mass	443.628
Monoisotopic Mass	443.30356
SMILES	CC(C)=C[C@H]1C[C@H](C)[C@]2(CC[C@]3(C)C[C@H]4C5=C(CC[C@H]32)C(=O)N(CCO)[C@H]5C[C@@]4(C)O)O1
InChI	InChI=1S/C27H41NO4/c1-16(2)12-18-13-17(3)27(32-18)9-8-25(4)14-20-23-19(6-7-22(25)27)24(30)28(10-11-29)21(23)15-26(20,5)31/h12,17-18,20-22,29,31H,6-11,13-15H2,1-5H3/t17-,18-,20-,21-,22+,25+,26+,27-/m0/s1
InChIKey	SZYPGFSMEGVGPW-RSLUFOKHSA-N

Species of Metabolite	Component	Source	Comments
Bipolaris (ncbitaxon:33194)	-	PubMed (31254370)

ChEBI Ontology

Outgoing Relation(s)
	Bipolarolide G (CHEBI:226458) is a sesquiterpenoid (CHEBI:26658)

IUPAC Name
(1S,3R,3'S,5'R,6S,7R,13S,15R)-15-hydroxy-12-(2-hydroxyethyl)-3,3',15-trimethyl-5'-(2-methylprop-1-enyl)spiro[12-azatetracyclo[8.5.1.03,7.013,16]hexadec-10(16)-ene-6,2'-oxolane]-11-one