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CHEBI:67670 - Macrocalin B
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ChEBI Name
Macrocalin B
ChEBI ID
CHEBI:67670
Definition
A natural product found in
Isodon adenolomus
.
Stars
This entity has been manually annotated by a third party.
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Formula
C20H26O6
Net Charge
0
Average Mass
362.41680
Monoisotopic Mass
362.17294
InChI
InChI=1S/C20H26O6/c1-
8-
9-
7-
10(21)
11-
18-
6-
4-
5-
17(2,3)
12(18)
14(23)
20(24)
19(11,13(8)
22)
15(9)
25-
16(18)
26-
20/h9-
12,14-
16,21,23-
24H,1,4-
7H2,2-
3H3/t9-
,10+,11+,12-
,14+,15+,16+,18-
,19+,20-
/m1/s1
InChIKey
GSRZMSWBSLHHAD-NBPWNTTESA-N
SMILES
[H]
[C@]
12C[C@H]
(O)
[C@@]
3([H]
)
[C@]
45CCCC(C)
(C)
[C@@]
4([H]
)
[C@H]
(O)
[C@@]
4(O)
O[C@]
5([H]
)
O[C@]
1([H]
)
[C@@]
34C(=O)
C2=C
Metabolite of Species
Details
Isodon adenolomus
(NCBI:txid662903)
Found in aerial part
(BTO:0001658)
. 70% aqueous acetone extract of air-dried and powdered aerial parts 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
Macrocalin B (
CHEBI:67670
)
has role
metabolite (
CHEBI:25212
)
Macrocalin B (
CHEBI:67670
)
is a
dioxanes (
CHEBI:46926
)
Synonym
Source
ent-Kaur-16-en-15-one, 7,20:14,20-diepoxy-6,7,11-trihydroxy-,(6beta,7alpha,11beta,14S,20S)-
ChEBI
Registry Number
Type
Source
93781-75-0
CAS Registry Number
ChemIDplus
Citation
Type
Source
21534539
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:oxanes(CHEBI:46942); ISA:secondary alcohol(CHEBI:35681); ISA:polyol(CHEBI:26191); ISA:organic hydroxy compound(CHEBI:33822); ISA:hemiacetal(CHEBI:5653); ISA:ketone(CHEBI:17087); ISA:acetal(CHEBI:59769);