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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:70531 - 7beta-hydroxysitosterol
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ChEBI Ontology
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ChEBI Name
7beta-hydroxysitosterol
ChEBI ID
CHEBI:70531
Definition
A natural product found in
Melia toosendan
.
Stars
This entity has been manually annotated by a third party.
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Formula
C29H50O2
Net Charge
0
Average Mass
430.70610
Monoisotopic Mass
430.38108
InChI
InChI=1S/C29H50O2/c1-
7-
20(18(2)
3)
9-
8-
19(4)
23-
10-
11-
24-
27-
25(13-
15-
29(23,24)
6)
28(5)
14-
12-
22(30)
16-
21(28)
17-
26(27)
31/h17-
20,22-
27,30-
31H,7-
16H2,1-
6H3/t19-
,20-
,22+,23-
,24+,25+,26+,27+,28+,29-
/m1/s1
InChIKey
SXJVFYZNUGGHRG-PZHNMUJHSA-N
SMILES
[H]
[C@@]
1(CC[C@@]
2([H]
)
[C@]
3([H]
)
[C@@H]
(O)
C=C4C[C@@H]
(O)
CC[C@]
4(C)
[C@@]
3([H]
)
CC[C@]
12C)
[C@H]
(C)
CC[C@@H]
(CC)
C(C)
C
Metabolite of Species
Details
Melia toosendan
(NCBI:txid71608)
Found in fruit
(BTO:0000486)
. 95% ethanolic extract of dried fruits 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
7beta-hydroxysitosterol (
CHEBI:70531
)
has parent hydride
stigmastane (
CHEBI:26773
)
7beta-hydroxysitosterol (
CHEBI:70531
)
has role
metabolite (
CHEBI:25212
)
7beta-hydroxysitosterol (
CHEBI:70531
)
is a
C
29
-steroid (
CHEBI:188923
)
7beta-hydroxysitosterol (
CHEBI:70531
)
is a
steroid (
CHEBI:35341
)
Synonym
Source
Stigmast-5-ene-3,7-diol, (3beta,7beta)-
ChEBI
Citation
Type
Source
20961091
PubMed citation
Europe PMC
Last Modified
22 September 2014
General Comment
2014-10-17
Suggested Classification: ISA:triterpenoid(CHEBI:36615); ISA:steroid(CHEBI:35341); ISA:7-hydroxy steroid(CHEBI:36844); ISA:3beta-hydroxy steroid(CHEBI:36836); ISA:secondary alcohol(CHEBI:35681); ISA:organic hydroxy compound(CHEBI:33822);