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InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
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ChEBI
> Main
CHEBI:2544 - albanol A
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ChEBI Ontology
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ChEBI Name
albanol A
ChEBI ID
CHEBI:2544
Stars
This entity has been manually annotated by a third party.
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Formula
C34H26O8
Net Charge
0
Average Mass
562.567
Monoisotopic Mass
562.16277
InChI
InChI=1S/C34H26O8/c1-
16-
8-
23-
22-
6-
4-
21(37)
15-
30(22)
41-
34(25-
7-
5-
19(35)
13-
26(25)
38)
33(23)
24(9-
16)
32-
27(39)
10-
18(12-
31(32)
42-
34)
28-
11-
17-
2-
3-
20(36)
14-
29(17)
40-
28/h2-
7,9-
15,23-
24,33,35-
39H,8H2,1H3/t23-
,24-
,33-
,34+/m0/s1
InChIKey
MJJWBJFYYRAYKU-OPKNDJPNSA-N
SMILES
CC1=C[C@@H]2[C@@H]3[C@@H](C1)c1ccc(O)cc1O[C@@]3(Oc1cc(cc(O)c21)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O
ChEBI Ontology
Outgoing
albanol A (
CHEBI:2544
)
is a
1-benzofurans (
CHEBI:38830
)
albanol A (
CHEBI:2544
)
is a
organic heteropentacyclic compound (
CHEBI:38164
)
Synonyms
Sources
Albanol A
KEGG COMPOUND
Mulberrofuran G
KEGG COMPOUND
Manual Xrefs
Databases
C00002392
KNApSAcK
C08738
KEGG COMPOUND
View more database links
Registry Number
Type
Source
87085-00-5
CAS Registry Number
KEGG COMPOUND
Last Modified
28 July 2014