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Chemistry, part 2

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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 > terpene lactone > divirensol a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > terpene lactone > divirensol a
... > organooxygen compound > ester > carboxylic ester > lactone > terpene lactone > divirensol a
... > organooxygen compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > divirensol 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 > lactone > terpene lactone > divirensol a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > lactone > terpene lactone > divirensol a
organooxygen compound > ester > lactone > terpene lactone > divirensol a
organooxygen compound > oxacycle > lactone > terpene lactone > divirensol a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > divirensol a
... > 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 > lactone > terpene lactone > divirensol a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > lactone > terpene lactone > divirensol a

Preferred term

divirensol a  

Type

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

Broader concept

charge

  • 0

formula

  • C30H42O11

inchi

  • InChI=1S/C30H42O11/c1-15(2)20-6-5-17-13-40-29(38)24(17)22(20)10-19(12-32)28(37)41-14-30(39)8-7-21(16(3)4)23(25(30)27(35)36)9-18(11-31)26(33)34/h9-10,15-16,20-23,25,31-32,39H,5-8,11-14H2,1-4H3,(H,33,34)(H,35,36)/t20-,21-,22-,23-,25-,30-/m1/s1

inchikey

  • MCQCYJMDPZKQKM-KIHJTCAPSA-N

mass

  • 578.655

monoisotopicmass

  • 578.27271

smiles

  • O=C1OCC2=C1[C@H](C=C(C(=O)OC[C@@]3(O)[C@@H](C(=O)O)[C@H](C=C(C(=O)O)CO)[C@@H](C(C)C)CC3)CO)[C@@H](C(C)C)CC2

subset

  • 2_STAR

synonym EXACT

  • (1S,2S,5R,6S)-6-(2-carboxy-3-hydroxyprop-1-enyl)-2-hydroxy-2-[[2-(hydroxymethyl)-3-[(4S,5R)-3-oxo-5-propan-2-yl-4,5,6,7-tetrahydro-1H-2-benzouran-4-yl]prop-2-enoyl]oxymethyl]-5-propan-2-ylcyclohexane-1-carboxylic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:222789

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