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(Q105146712)
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English
moralbanone
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
farnesane sesquiterpenoid
0 references
8C-substituted flavone
0 references
mass
490.235538808
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₀H₃₄O₆
0 references
canonical SMILES
O=C1C=C(OC=2C1=C(O)C=C(O)C2CC=C(C)CCC=C(C)CCC=C(C)C)C=3C=CC(O)=CC3O
0 references
isomeric SMILES
CC(C)=CCC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(O)c2c(=O)cc(-c3ccc(O)cc3O)oc12
1 reference
based on heuristic
inferred from InChI
found in taxon
Morus alba
3 references
stated in
Antiviral flavonoids from the root bark of Morus alba L.
stated in
Antiviral flavonoids from the root bark of Morus alba L.
stated in
Antiviral flavonoids from the root bark of Morus alba L.
Identifiers
InChI
InChI=1S/C30H34O6/c1-18(2)7-5-8-19(3)9-6-10-20(4)11-13-23-25(33)16-26(34)29-27(35)17-28(36-30(23)29)22-14-12-21(31)15-24(22)32/h7,9,11-12,14-17,31-34H,5-6,8,10,13H2,1-4H3/b19-9+,20-11+
0 references
InChIKey
KVTGJUFKNDYOTO-VQCWNDBCSA-N
0 references
PubChem CID
5319892
1 reference
stated in
PubChem
retrieved
17 September 2022
based on heuristic
inferred from InChIKey
ChEBI ID
186041
mapping relation type
exact match
2 references
stated in
ChEBI release 2022-06-13
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C30H34O6/c1-18(2)7-5-8-19(3)9-6-10-20(4)11-13-23-25(33)16-26(34)29-27(35)17-28(36-30(23)29)22-14-12-21(31)15-24(22)32/h7,9,11-12,14-17,31-34H,5-6,8,10,13H2,1-4H3/b19-9+,20-11+
UniChem compound ID
32749266
1 reference
stated in
UniChem
NMRShiftDB structure ID
10019704
1 reference
matched by identifier from
InChIKey
InChIKey
KVTGJUFKNDYOTO-VQCWNDBCSA-N
KNApSAcK ID
C00013411
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
KVTGJUFKNDYOTO-VQCWNDBCSA-N
LIPID MAPS ID
LMPK12110901
1 reference
InChIKey
KVTGJUFKNDYOTO-VQCWNDBCSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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