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(Q77563946)
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Bendigole D
bioactive natural product
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Statements
instance of
type of chemical entity
0 references
subclass of
2-(7,12-Dihydroxy-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)propanoic acid
1 reference
based on heuristic
inferred from SMILES
mass
374.20932406
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₂H₃₀O₅
0 references
canonical SMILES
O=C1C=CC2(C(=C1)CC(O)C3C4CCC(C(C(=O)O)C)C4(C)C(O)CC32)C
0 references
isomeric SMILES
C[C@@H]([C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2[C@@H](CC4=CC(=O)C=C[C@]34C)O)O)C)C(=O)O
0 references
found in taxon
Actinomadura
2 references
stated in
Bendigoles D-F, bioactive sterols from the marine sponge-derived Actinomadura sp. SBMs009.
stated in
Bendigoles D-F, bioactive sterols from the marine sponge-derived Actinomadura sp. SBMs009.
Identifiers
InChI
InChI=1S/C22H30O5/c1-11(20(26)27)14-4-5-15-19-16(10-18(25)22(14,15)3)21(2)7-6-13(23)8-12(21)9-17(19)24/h6-8,11,14-19,24-25H,4-5,9-10H2,1-3H3,(H,26,27)/t11-,14+,15-,16-,17+,18-,19-,21-,22+/m0/s1
0 references
InChIKey
RIPUUOOMDLZCBV-QYVBNZPWSA-N
2 references
stated in
PubChem
PubChem CID
54764154
language of work or name
English
stated in
Natural Product Atlas
PubChem CID
54764154
language of work or name
English
PubChem CID
54764154
2 references
stated in
PubChem
PubChem CID
54764154
language of work or name
English
matched by identifier from
InChIKey
InChIKey
RIPUUOOMDLZCBV-QYVBNZPWSA-N
ChEBI ID
216215
mapping relation type
exact match
1 reference
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C22H30O5/c1-11(20(26)27)14-4-5-15-19-16(10-18(25)22(14,15)3)21(2)7-6-13(23)8-12(21)9-17(19)24/h6-8,11,14-19,24-25H,4-5,9-10H2,1-3H3,(H,26,27)/t11-,14+,15-,16-,17+,18-,19-,21-,22+/m0/s1
UniChem compound ID
27212979
1 reference
stated in
UniChem
Natural Product Atlas ID
NPA015258
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
RIPUUOOMDLZCBV-QYVBNZPWSA-N
LIPID MAPS ID
LMST04050017
1 reference
InChIKey
RIPUUOOMDLZCBV-QYVBNZPWSA-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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