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Chemistry, part 2

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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > langkocycline b2
... > 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 polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > langkocycline b2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > langkocycline b2
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > polycyclic compound > organic polycyclic compound > organic tricyclic compound > organic heterotricyclic compound > langkocycline b2
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > langkocycline b2
... > 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 > organic heterotricyclic compound > langkocycline b2
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > langkocycline b2
organooxygen compound > langkocycline b2

Preferred term

langkocycline b2  

Type

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

Broader concept

charge

  • 0

formula

  • C59H71NO20

inchi

  • InChI=1S/C59H71NO20/c1-26-36(61)13-16-43(70-26)77-40-21-46(73-29(4)52(40)64)75-38-14-17-44(71-27(38)2)78-41-22-47(74-30(5)53(41)65)76-39-15-18-45(72-28(39)3)80-59-42(63)23-57(6,68)25-58(59,69)20-19-33-51(59)55-49-32(11-12-37(62)50(49)54(33)66)48(56(67)79-55)34-24-60-35-10-8-7-9-31(34)35/h7-12,19-20,24,26-30,36,38-41,43-47,52-53,61-62,64-66,68-69H,13-18,21-23,25H2,1-6H3/t26-,27-,28+,29+,30-,36-,38-,39+,40+,41-,43-,44-,45+,46-,47+,52+,53-,57+,58+,59+/m1/s1

inchikey

  • PZGQTSAHVDEFSP-AUAXOKSISA-N

mass

  • 1114.204

monoisotopicmass

  • 1113.45694

smiles

  • O=C1OC=2C=3C(C(O)=C4C2[C@@]5(O[C@@H]6O[C@H]([C@@H](O[C@@H]7O[C@@H]([C@@H](O)[C@@H](C7)O[C@H]8O[C@@H]([C@H](O[C@H]9O[C@H]([C@H](O)[C@H](C9)O[C@H]%10O[C@@H]([C@H](O)CC%10)C)C)CC8)C)C)CC6)C)C(=O)C[C@@](O)(C)C[C@@]5(O)C=C4)=C(O)C=CC3C1=C%11C%12=C(C=CC=C%12)N=C%11

subset

  • 2_STAR

synonym EXACT

  • (3S,6R,8R)-6,8,12,14-tetrahydroxy-3-[(2S,5S,6S)-5-[(2S,4R,5R,6R)-5-hydroxy-4-[(2R,5R,6R)-5-[(2R,4S,5S,6S)-5-hydroxy-4-[(2R,5R,6R)-5-hydroxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-6-methyloxan-2-yl]oxy-18-indol-3-ylidene-6-methyl-20-oxapentacyclo[11.7.1.02,11.03,8.017,21]henicosa-1,9,11,13,15,17(21)-hexaene-4,19-dione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:225321

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