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3-hydroxy-4-ketotorulene

Properties

Image

Occurences in reactions

MNX_ID

MNXM14562

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₄₀H₅₂O₂

charge

mass

564.39673

reference

metacycM:CPD-7951

InChIKey

JQSLJBXSPJMQQS-AYQHOUQYSA-N

InChI

InChI=1S/C40H52O2/c1-30(2)17-13-20-33(5)23-15-25-34(6)24-14-21-31(3)18-11-12-19-32(4)22-16-26-35(7)27-28-37-36(8)39(42)38(41)29-40(37,9)10/h11-28,38,41H,29H2,1-10H3/b12-11+,20-13-,21-14+,22-16+,25-15+,28-27+,31-18+,32-19+,33-23+,34-24+,35-26+

SMILES

CC(C)=C/C=C\C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(=O)C(O)CC1(C)C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-7951 metacycM:CPD-7951	3-hydroxy-4-ketotorulene 3-hydroxy-3'-4'-didehydro-beta,psi-caroten-4-one HDCO
seed.compound:cpd24988 seedM:cpd24988	3-hydroxy-3'-4'-didehydro-beta,psi-caroten-4-one 3-hydroxy-4-ketotorulene HDCO
seedM:M_cpd24988	secondary/obsolete/fantasy identifier