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:48200 - griseusin B
Main
ChEBI Ontology
Automatic Xrefs
Reactions
Pathways
Models
ChEBI Name
griseusin B
ChEBI ID
CHEBI:48200
Stars
This entity has been manually annotated by the ChEBI Team.
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
C22H22O10
Net Charge
0
Average Mass
446.40408
Monoisotopic Mass
446.12130
InChI
InChI=1S/C22H22O10/c1-
9-
6-
15(30-
10(2)
23)
21(29)
22(31-
9)
18-
13(7-
11(32-
22)
8-
16(25)
26)
19(27)
12-
4-
3-
5-
14(24)
17(12)
20(18)
28/h3-
5,9,11,15,21,24,29H,6-
8H2,1-
2H3,(H,25,26)
/t9-
,11+,15-
,21+,22-
/m1/s1
InChIKey
ZALAFWZWSLVCID-VXUQJGMHSA-N
SMILES
C[C@@H]1C[C@@H](OC(C)=O)[C@H](O)[C@]2(O1)O[C@H](CC(O)=O)CC1=C2C(=O)c2c(O)cccc2C1=O
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.
antimicrobial agent
A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans.
(via
heterocyclic antibiotic
)
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
griseusin B (
CHEBI:48200
)
has role
metabolite (
CHEBI:25212
)
griseusin B (
CHEBI:48200
)
is a
p
-quinones (
CHEBI:25830
)
griseusin B (
CHEBI:48200
)
is a
benzoisochromanequinone (
CHEBI:48129
)
IUPAC Name
[(1
R
,3
S
,3'
S
,4'
R
,6'
R
)-
4'-
acetoxy-
3',9-
dihydroxy-
6'-
methyl-
5,10-
dioxo-
3,3',4,4',5,5',6',10-
octahydrospiro[naphtho[2,3-
c
]pyran-
1,2'-
pyran]-
3-
yl]acetic acid
Registry Number
Type
Source
5184599
Beilstein Registry Number
Beilstein
Last Modified
06 June 2016