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> Main
CHEBI:31071 - 2,3,9,10-tetrahydroxyberbine
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ChEBI Ontology
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ChEBI Name
2,3,9,10-tetrahydroxyberbine
ChEBI ID
CHEBI:31071
Definition
A berberine alkaloid that is berbine substituted by hydroxy groups at positions 2, 3, 9 and 10.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C17H17NO4
Net Charge
0
Average Mass
299.32120
Monoisotopic Mass
299.11576
InChI
InChI=1S/C17H17NO4/c19-
14-
2-
1-
9-
5-
13-
11-
7-
16(21)
15(20)
6-
10(11)
3-
4-
18(13)
8-
12(9)
17(14)
22/h1-
2,6-
7,13,19-
22H,3-
5,8H2
InChIKey
TVKAUFJQMRSZFH-UHFFFAOYSA-N
SMILES
Oc1cc2CCN3Cc4c(CC3c2cc1O)ccc(O)c4O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via
alkaloid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,3,9,10-tetrahydroxyberbine (
CHEBI:31071
)
has functional parent
berbine (
CHEBI:35611
)
2,3,9,10-tetrahydroxyberbine (
CHEBI:31071
)
has role
metabolite (
CHEBI:25212
)
2,3,9,10-tetrahydroxyberbine (
CHEBI:31071
)
is a
berberine alkaloid (
CHEBI:22754
)
2,3,9,10-tetrahydroxyberbine (
CHEBI:31071
)
is a
organic heterotetracyclic compound (
CHEBI:38163
)
2,3,9,10-tetrahydroxyberbine (
CHEBI:31071
)
is a
polyphenol (
CHEBI:26195
)
IUPAC Name
5,8,13,13a-tetrahydro-6
H
-isoquinolino[3,2-
a
]isoquinoline-2,3,9,10-tetrol
Manual Xref
Database
C12330
KEGG COMPOUND
View more database links
Registry Number
Type
Source
43264
Reaxys Registry Number
Reaxys
Last Modified
30 December 2013