Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:18073 - xanthoaphin
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
xanthoaphin
ChEBI ID
CHEBI:18073
Definition
The product from the treatment of protoaphin aglucone with protoaphin dehydratase (EC 4.2.1.73).
Stars
This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs
CHEBI:15320, CHEBI:27321, CHEBI:10062
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C30H26O10
Net Charge
0
Average Mass
546.52140
Monoisotopic Mass
546.15260
InChI
InChI=1S/C30H26O10/c1-
7-
13-
21-
19-
17-
15(25(13)
33)
11(31)
5-
30(36)
24(17)
20-
18-
16(26(34)
14-
8(2)
38-
10(4)
28(40-
30)
22(14)
20)
12(32)
6-
29(35,23(18)
19)
39-
27(21)
9(3)
37-
7/h7-
10,27-
28,33-
36H,5-
6H2,1-
4H3/t7-
,8-
,9-
,10-
,27-
,28-
,29+,30+/m1/s1
InChIKey
HNUPXDLGAHSVEQ-YSPTYUJLSA-N
SMILES
[H]
[C@@]
12O[C@@]
3(O)
CC(=O)
c4c(O)
c5[C@@H]
(C)
O[C@H]
(C)
[C@@]
6([H]
)
O[C@@]
7(O)
CC(=O)
c8c(O)
c([C@@H]
(C)
O[C@@H]
1C)
c2c1c3c4c(c56)
c7c81
ChEBI Ontology
Outgoing
xanthoaphin (
CHEBI:18073
)
is a
hemiketal (
CHEBI:59772
)
xanthoaphin (
CHEBI:18073
)
is a
organic polycyclic compound (
CHEBI:51958
)
xanthoaphin (
CHEBI:18073
)
is conjugate acid of
xanthoaphin(1−) (
CHEBI:77712
)
Incoming
xanthoaphin(1−) (
CHEBI:77712
)
is conjugate base of
xanthoaphin (
CHEBI:18073
)
IUPAC Name
(1
R
,3
R
,3a
S
,4a
S
,8
R
,10
R
,10a
S
,11a
S
)-
4a,7,11a,14-
tetrahydroxy-
1,3,8,10-
tetramethyl-
1,3,3a,4a,5,8,10,10a,11a,12-
decahydro-
6
H
,13
H
-
2,4,9,11-
tetraoxadibenzo[
bc
,
kl
]coronene-
6,13-
dione
Synonyms
Sources
Xanthoaphin
KEGG COMPOUND
xanthoaphin-
fb
ChEBI
Manual Xref
Database
C01863
KEGG COMPOUND
View more database links
Registry Numbers
Types
Sources
102020
Beilstein Registry Number
Beilstein
1674-44-8
CAS Registry Number
KEGG COMPOUND
Last Modified
24 June 2014