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Chemistry, part 2

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > phorbol ester > candletoxin a
organooxygen compound > carbonyl compound > carboxylic ester > phorbol ester > candletoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > phorbol ester > candletoxin a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > phorbol ester > candletoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > phorbol ester > candletoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > phorbol ester > candletoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > tetracyclic diterpenoid > phorbol ester > candletoxin a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > tetracyclic diterpenoid > phorbol ester > candletoxin a

Preferred term

candletoxin a  

Type

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

Broader concept

charge

  • 0

formula

  • C35H44O9

inchi

  • InChI=1S/C35H44O9/c1-7-20(2)31(39)43-19-32(6)29-26-14-25(18-42-23(5)36)17-33(40)27(13-21(3)30(33)38)35(26,41)22(4)16-34(29,32)44-28(37)15-24-11-9-8-10-12-24/h8-14,20,22,26-27,29,40-41H,7,15-19H2,1-6H3/t20?,22-,26+,27-,29-,32-,33-,34+,35-/m1/s1

inchikey

  • RWBRLONUEAWHRE-HBLGUWCISA-N

mass

  • 608.720

monoisotopicmass

  • 608.29853

smiles

  • CCC(C)C(=O)OC[C@]1(C)[C@H]2[C@@H]3C=C(COC(C)=O)C[C@@]4(O)[C@@H](C=C(C)C4=O)[C@@]3(O)[C@H](C)C[C@@]12OC(=O)Cc1ccccc1

subset

  • 2_STAR

synonym EXACT

  • Candletoxin A

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:3352

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