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Chemistry, part 2

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > diterpenoid > diterpene glycoside > reveromycin e 4'-methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > diterpenoid > diterpene glycoside > reveromycin e 4'-methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > isoprenoid > terpenoid > terpene glycoside > diterpene glycoside > reveromycin e 4'-methyl ester
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene glycoside > diterpene glycoside > reveromycin e 4'-methyl ester
... > organooxygen compound > carbohydrates and carbohydrate derivatives > carbohydrate derivative > glycosyl compound > glycoside > terpene glycoside > diterpene glycoside > reveromycin e 4'-methyl ester

Preferred term

reveromycin e 4'-methyl ester  

Type

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

Broader concept

charge

  • 0

formula

  • C39H58O11

inchi

  • InChI=1S/C39H58O11/c1-7-8-9-10-22-38(50-37(46)20-19-36(45)47-6)24-25-39(49-33(38)17-13-28(3)26-35(43)44)23-21-30(5)32(48-39)16-12-27(2)11-15-31(40)29(4)14-18-34(41)42/h11-15,17-18,26,29-33,40H,7-10,16,19-25H2,1-6H3,(H,41,42)(H,43,44)/b15-11+,17-13+,18-14+,27-12+,28-26+/t29-,30-,31-,32+,33-,38+,39-/m0/s1

inchikey

  • STGCMKHFORGKNG-MDOZOVPWSA-N

mass

  • 702.882

monoisotopicmass

  • 702.39791

smiles

  • O=C(O)/C=C(/C=C/[C@@H]1O[C@]2(O[C@@H]([C@@H](C)CC2)C/C=C(/C=C/[C@H](O)[C@H](/C=C/C(=O)O)C)/C)CC[C@]1(OC(=O)CCC(=O)OC)CCCCCC)/C

subset

  • 2_STAR

synonym EXACT

  • (2E,4S,5S,6E,8E)-10-[(2S,3R,6S,8R,9S)-2-[(1E,3E)-4-carboxy-3-methylbuta-1,3-dienyl]-3-hexyl-3-(4-methoxy-4-oxobutanoyl)oxy-9-methyl-1,7-dioxaspiro[5.5]undecan-8-yl]-5-hydroxy-4,8-dimethyldeca-2,6,8-trienoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:212627

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