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Chemistry, part 2

Content language

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Concept information

... > organooxygen compound > ether > cyclic ether > polycyclic ether > ciguatoxin > brevetoxin b, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-
... > organooxygen compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin > brevetoxin b, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin > brevetoxin b, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin > brevetoxin b, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > polycyclic ether > ciguatoxin > brevetoxin b, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > polycyclic ether > ciguatoxin > brevetoxin b, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > polycyclic ether > ciguatoxin > brevetoxin b, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > polycyclic ether > ciguatoxin > brevetoxin b, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-

Preferred term

brevetoxin b, 43-chloro-41-deformyl-41,43-dihydro-41-oxo-  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C49H69ClO14

inchi

  • InChI=1S/C49H69ClO14/c1-24-13-30-35(21-47(5)37(57-30)19-34-44(63-47)25(2)14-42(53)59-34)56-29-10-12-46(4)38(60-43(24)29)20-39-48(6,64-46)22-41-45(3,62-39)11-8-9-28-31(58-41)17-33-32(55-28)18-40-49(7,61-33)36(52)16-27(54-40)15-26(51)23-50/h8-9,14,24,27-41,43-44,52H,10-13,15-23H2,1-7H3/b9-8-

inchikey

  • LLWZTLRNRYPFBO-HJWRWDBZSA-N

mass

  • 917.530

monoisotopicmass

  • 916.43758

smiles

  • ClCC(=O)CC1OC2C(OC3C(OC4C(OC5CC6(OC7(C(OC8C(OC9C(OC%10C(OC%11C(OC(=O)C=C%11C)C%10)(C9)C)CC8C)CC7)CC6OC5(CC=C4)C)C)C)C3)C2)(C(O)C1)C

subset

  • 2_STAR

synonym EXACT

  • (21Z)-14-(3-chloro-2-oxopropyl)-12-hydroxy-1,3,11,24,31,41,44-heptamethyl-2,6,10,15,19,25,29,34,38,43,47-undecaoxaundecacyclo[26.22.0.03,26.05,24.07,20.09,18.011,16.030,48.033,46.035,44.037,42]pentaconta-21,40-dien-39-one

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:190248

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