(3S,5R)-6'-debromo-3,4-dihydrohamacanthin B (Q110177290)

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chemical compound

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Language	Label	Description	Also known as
English	(3S,5R)-6'-debromo-3,4-dihydrohamacanthin B	chemical compound

Statements

instance of

type of chemical entity

0 references

subclass of

chemical compound

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mass

408.058573264 dalton

1 reference

based on heuristic

inferred from SMILES

chemical formula

C₂₀H₁₇BrN₄O

0 references

canonical SMILES

O=C1NCC(c2c[nH]c3ccccc23)NC1c1c[nH]c2cc(Br)ccc12

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isomeric SMILES

O=C1NC[C@@H](c2c[nH]c3ccccc23)N[C@H]1c1c[nH]c2cc(Br)ccc12

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found in taxon

Spongosorites

1 reference

stated in

Bisindole alkaloids of the topsentin and hamacanthin classes from a marine sponge Spongosorites sp.

Identifiers

InChI

InChI=1S/C20H17BrN4O/c21-11-5-6-13-15(9-23-17(13)7-11)19-20(26)24-10-18(25-19)14-8-22-16-4-2-1-3-12(14)16/h1-9,18-19,22-23,25H,10H2,(H,24,26)/t18-,19-/m0/s1

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InChIKey

LQTWCUFHWBBBGT-OALUTQOASA-N

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PubChem CID

10811459

2 references

stated in

PubChem

retrieved

17 September 2022

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

LQTWCUFHWBBBGT-OALUTQOASA-N

UniChem compound ID

80898

1 reference

stated in

UniChem

 

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