Rosmaricine (CHEBI:174658)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	Rosmaricine

ChEBI ID	CHEBI:174658

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H27NO4

Net Charge

Average Mass

345.439

Monoisotopic Mass

345.19401

InChI

InChI=1S/C20H27NO4/c1-9(2)10-8-11-12(15(23)14(10)22)20-7-5-6-19(3,4)17(20)16(13(11)21)25-18(20)24/h8-9,13,16-17,22-23H,5-7,21H2,1-4H3

InChIKey

NFXKGLBUURRKEA-UHFFFAOYSA-N

SMILES

O1C2C3C(CCCC3(C)C)(C=4C(C2N)=CC(=C(O)C4O)C(C)C)C1=O

ChEBI Ontology
Outgoing	Rosmaricine (CHEBI:174658) is a diterpene lactone (CHEBI:49193)

IUPAC Name

8-amino-3,4-dihydroxy-11,11-dimethyl-5-propan-2-yl-16-oxatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-15-one