Brevione B (CHEBI:198729)

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CHEBI:198729 - Brevione B

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ChEBI ID	CHEBI:198729
ChEBI Name	Brevione B
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C27H36O4
Net Charge	0
Average Mass	424.581
Monoisotopic Mass	424.26136
SMILES	CC1=CC[C@H]2[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]2(C)[C@@]12Cc1c(c(C)c(C)oc1=O)O2
InChI	InChI=1S/C27H36O4/c1-15-8-9-20-25(6)12-11-21(28)24(4,5)19(25)10-13-26(20,7)27(15)14-18-22(31-27)16(2)17(3)30-23(18)29/h8,19-20H,9-14H2,1-7H3/t19-,20+,25-,26+,27-/m1/s1
InChIKey	BYXZSSYEJYOJRF-PCWYVQTFSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (11149849)

ChEBI Ontology

Outgoing Relation(s)
	Brevione B (CHEBI:198729) is a diterpene lactone (CHEBI:49193)

IUPAC Name
(2R,4'aS,4'bS,8'aS,10'aS)-1',1',4'a,6,7,7',8'a-heptamethylspiro[3H-uro[3,2-c]pyran-2,8'-4,4b,5,9,10,10a-hexahydro-3H-phenanthrene]-2',4-dione

Manual Xrefs	Databases
78436138	ChemSpider