Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
CHEBI:69691 - Perovskone B
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
Perovskone B
ChEBI ID
CHEBI:69691
Definition
A natural product found in
Salvia hydrangea
.
Stars
This entity has been manually annotated by a third party.
Supplier Information
Download
Molfile
XML
SDF
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
Formula
C30H40O4
Net Charge
0
Average Mass
464.63620
Monoisotopic Mass
464.29266
InChI
InChI=1S/C30H40O4/c1-
16(2)
22-
23(32)
28-
12-
9-
19-
25(4,5)
10-
8-
11-
27(19)
15-
29(28)
18(17(3)
13-
21(28)
31)
14-
20-
26(6,7)
33-
24(22)
30(20,29)
34-
27/h13,16,18-
20H,8-
12,14-
15H2,1-
7H3/t18-
,19-
,20+,27-
,28-
,29-
,30-
/m1/s1
InChIKey
HBIBHELUGMKMMU-GHDDMMGFSA-N
SMILES
[H]
[C@]
12C[C@@]
3([H]
)
C(C)
(C)
OC4=C(C(C)
C)
C(=O)
[C@@]
5(CC[C@]
6([H]
)
C(C)
(C)
CCC[C@@]
66C[C@@]
15[C@@]
34O6)
C(=O)
C=C2C
Metabolite of Species
Details
Salvia hydrangea
(NCBI:txid392666)
Found in aerial part
(BTO:0001658)
. n-Hexane extract of air-dried, 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
Perovskone B (
CHEBI:69691
)
has role
metabolite (
CHEBI:25212
)
Perovskone B (
CHEBI:69691
)
is a
sesterterpenoid (
CHEBI:26660
)
Citation
Type
Source
21967089
PubMed citation
Europe PMC
Last Modified
30 September 2020
General Comment
2014-10-17
Suggested Classification: ISA:naphthofuran(CHEBI:39270); ISA:enol ether(CHEBI:47985); ISA:enone(CHEBI:51689); ISA:oxolanes(CHEBI:26912); ISA:ketone(CHEBI:17087); ISA:ether(CHEBI:25698);