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(Q82916906)
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Batzelladine H
chemical compound
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
609.44866610409
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₃₅H₅₇N₆O₃⁺
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
O=C(OCCCCCCCC1N=C2N(O)C(C)CC3N2C(CC3)C1)C=4C(=NC=5NC(CCCCCCC)CC6[N+]5C4CC6)C
0 references
isomeric SMILES
CCCCCCCC1C[C@@H]2CCc3c(C(=O)OCCCCCCC[C@@H]4C[C@@H]5CC[C@H]6C[C@@H](C)N(O)C(=N4)N56)c(C)nc([n+]32)N1
0 references
found in taxon
Monanchora arbuscula
1 reference
stated in
Bioactive guanidine alkaloids from two Caribbean marine sponges.
Clathria calla
1 reference
stated in
Bioactive guanidine alkaloids from two Caribbean marine sponges.
Identifiers
InChI
InChI=1S/C35H56N6O3/c1-4-5-6-8-11-14-26-22-30-18-19-31-32(25(3)36-34(37-26)40(30)31)33(42)44-20-13-10-7-9-12-15-27-23-29-17-16-28-21-24(2)41(43)35(38-27)39(28)29/h24,26-30,43H,4-23H2,1-3H3/p+1/t24-,26?,27-,28+,29+,30+/m1/s1
0 references
InChIKey
HKOJXFBELGWAOF-CCVDORCPSA-O
0 references
CAS Registry Number
188112-85-8
0 references
PubChem CID
490399
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
57598946
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70940303
0 references
DSSTOX compound identifier
DTXCID201368774
0 references
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