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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:66174 - Sarcodonin-delta
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ChEBI Ontology
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ChEBI Name
Sarcodonin-delta
ChEBI ID
CHEBI:66174
Definition
A natural product found particularly in
Sarcodon scabrosus
and
Hydnellum suaveolens
.
Stars
This entity has been manually annotated by a third party.
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Formula
C35H38N2O13
Net Charge
0
Average Mass
694.68180
Monoisotopic Mass
694.23739
InChI
InChI=1S/C35H38N2O13/c1-
8-
17(3)
28-
33(43)
37(45)
35(18(4)
9-
2,34(44)
36(28)
46-
7)
49-
25-
16-
22(12-
15-
24(25)
50-
37)
27-
30(42)
29(41)
26(21-
10-
13-
23(40)
14-
11-
21)
31(47-
19(5)
38)
32(27)
48-
20(6)
39/h10-
18,40-
43H,8-
9H2,1-
7H3/t17-
,18-
,35+,37?/m0/s1
InChIKey
KCXPCPJNZYKYRZ-WVVBHBOESA-N
SMILES
CC[C@H]
(C)
C1=C(O)
[N+]
2([O-
]
)
Oc3ccc(cc3O[C@]
2([C@@H]
(C)
CC)
C(=O)
N1OC)
-
c1c(O)
c(O)
c(-
c2ccc(O)
cc2)
c(OC(C)
=O)
c1OC(C)
=O
Metabolite of Species
Details
Sarcodon scabrosus
(NCBI:txid178525)
See: Z NATURFORSCH,2005,60B,565
Hydnellum suaveolens
(NCBI:txid524030)
Found in fruit body
(BTO:0000487)
. Fresh fruit body See:
PubMed
Hydnellum geogerirum
(NCBI:txid68815)
Found in fruit body
(BTO:0000487)
. Fresh fruit body See:
PubMed
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.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Sarcodonin-delta (
CHEBI:66174
)
has role
metabolite (
CHEBI:25212
)
Sarcodonin-delta (
CHEBI:66174
)
is a
biphenyls (
CHEBI:22888
)
Synonyms
Sources
[3-
[(5R,11aR)-
3,11a-
bis[(2S)-
butan-
2-
yl]-
4-
hydroxy-
2-
methoxy-
5-
oxido-
1-
oxopyrazino[1,2-
b][1,4,2]benzodioxazin-
5-
ium-
9-
yl]-
2-
acetyloxy-
4,5-
dihydroxy-
6-
(4-
hydroxyphenyl)phenyl] acetate
ChEBI
Hydnellin A
ChEBI
Citation
Type
Source
16755070
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:phenols(CHEBI:33853); ISA:benzoate ester(CHEBI:36054); ISA:benzenetriol(CHEBI:22707); ISA:catechols(CHEBI:33566); ISA:carboxylic ester(CHEBI:33308); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:organic heterocyclic compound(CHEBI:24532); ISA:amino alcohol(CHEBI:22478); ISA:organonitrogen compound(CHEBI:35352); ISA:amide(CHEBI:32988); ISA:aromatic alcohol(CHEBI:33854); ISA:organic salt(CHEBI:24868); ISA:carbonyl compound(CHEBI:36586); ISA:organic cation(CHEBI:25697); ISA:zwitterion(CHEBI:27369);