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InChI=1S/CH4O/c1-2/h2H,1H3
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ChEBI
> Main
CHEBI:68066 - Ramonanin B, (rel)-
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ChEBI Ontology
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ChEBI Name
Ramonanin B, (rel)-
ChEBI ID
CHEBI:68066
Definition
A natural product found in
Guaiacum officinale
and
Guaiacum sanctum
.
Stars
This entity has been manually annotated by a third party.
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Formula
C40H40O10
Net Charge
0
Average Mass
680.73960
Monoisotopic Mass
680.26215
InChI
InChI=1S/C40H40O10/c1-
21-
36(22-
6-
10-
28(41)
32(16-
22)
45-
2)
50-
39(25-
9-
13-
31(44)
35(19-
25)
48-
5)
40(21)
15-
14-
26-
27(20-
40)
38(24-
8-
12-
30(43)
34(18-
24)
47-
4)
49-
37(26)
23-
7-
11-
29(42)
33(17-
23)
46-
3/h6-
13,16-
19,36-
39,41-
44H,1,14-
15,20H2,2-
5H3/t36-
,37+,38-
,39-
,40-
/m1/s1
InChIKey
GVLSMMAPMUCRRO-RZTCZVRSSA-N
SMILES
COc1cc(ccc1O)
[C@@H]
1O[C@H]
(c2ccc(O)
c(OC)
c2)
[C@@]
2(CCC3=C(C2)
[C@H]
(O[C@H]
3c2ccc(O)
c(OC)
c2)
c2ccc(O)
c(OC)
c2)
C1=C
Metabolite of Species
Details
Guaiacum officinale
(NCBI:txid374122)
Found in heartwood
(PO:0004512)
. CHCl3 extract of dried and powdered heart wood See:
PubMed
Guaiacum sanctum
(NCBI:txid45189)
Found in heartwood
(PO:0004512)
. 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.
plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via
diarylheptanoid
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
Ramonanin B, (rel)- (
CHEBI:68066
)
has role
metabolite (
CHEBI:25212
)
Ramonanin B, (rel)- (
CHEBI:68066
)
is a
diarylheptanoid (
CHEBI:78802
)
Synonym
Source
rel-
2-
methoxy-
4-
[(1R,2'S,3S,5'R,6R)-
1,3,5'-
tris(4-
hydroxy-
3-
methoxyphenyl)-
3'-
methylidenespiro[3,4,5,7-
tetrahydro-
1H-
2-
benzofuran-
6,4'-
oxolane]-
2'-
yl]phenol
ChEBI
Citation
Type
Source
21391655
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:phenols(CHEBI:33853); ISA:methoxybenzene(CHEBI:51683); ISA:aromatic ether(CHEBI:35618); ISA:dihydrofuran(CHEBI:51659); ISA:oxolanes(CHEBI:26912); ISA:polyol(CHEBI:26191); ISA:ether(CHEBI:25698); ISA:aromatic alcohol(CHEBI:33854);