(Q104402911)

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CID 11491539

chemical compound

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instance of

type of chemical entity

0 references

subclass of

phenethylamine alkaloid

0 references

mass

951.858976876 dalton

1 reference

based on heuristic

inferred from SMILES

stereoisomer of

(12E,29S)-5,21,33,36-tetrabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,30,33,36-tetradecaene-4,11,20,26,29-pentol

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(12Z,25E,29S)-5,21,33,36-tetrabromo-12,25-bis(hydroxyimino)-2,18-dioxa-10,27-diazapentacyclo[28.2.2.2¹⁴,¹⁷.1³,⁷.1¹⁹,²³]octatriaconta-1(32),3(38),4,6,10,14,16,19(35),20,22,26,30,33,36-tetradecaene-4,11,20,26,29-pentol

2 references

based on heuristic

inferred from InChIKey

1 reference

C₃₄H₂₈Br₄N₄O₉

0 references

canonical SMILES

O=C1NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C(O)CNC(=O)C(=NO)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)CC1=NO

0 references

isomeric SMILES

O=C1NCCc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)[C@H](O)CNC(=O)/C(=N/O)Cc2cc(Br)c(O)c(c2)Oc2ccc(cc2Br)C/C1=N\O

0 references

found in taxon

Ianthella basta

5 references

stated in

The search for inosine 5′-Phosphate dehydrogenase (IMPDH) inhibitors from marine sponges. Evaluation of the bastadin alkaloids

stated in

New bastadins from the sponge Ianthella basta

stated in

Antineoplastic agents, 326. The stereochemistry of bastadins 8, 10, and 12 from the Bismarck archipelago marine sponge Ianthella basta

stated in

Antineoplastic agents, 326. The stereochemistry of bastadins 8, 10, and 12 from the Bismarck archipelago marine sponge Ianthella basta

stated in

New bastadins from the sponge Ianthella basta

Ianthella flabelliformis

1 reference

stated in

The search for inosine 5′-Phosphate dehydrogenase (IMPDH) inhibitors from marine sponges. Evaluation of the bastadin alkaloids

Identifiers

InChI

InChI=1S/C34H28Br4N4O9/c35-20-7-16-1-3-27(20)50-30-13-18(9-23(38)32(30)45)11-25(42-49)34(47)40-15-26(43)19-2-4-28(21(36)14-19)51-29-12-17(8-22(37)31(29)44)5-6-39-33(46)24(10-16)41-48/h1-4,7-9,12-14,26,43-45,48-49H,5-6,10-11,15H2,(H,39,46)(H,40,47)/b41-24+,42-25+/t26-/m1/s1

0 references

InChIKey

YBDUMXZBKBTNGS-JWAODPOQSA-N

0 references

2 references

17 September 2022

inferred from InChIKey

matched by identifier from

InChIKey

YBDUMXZBKBTNGS-JWAODPOQSA-N

1 reference

(Q104402911)

CID 11491539

Statements

Identifiers

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