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

Preferred term

langduin d  

Type

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

Broader concept

charge

  • 0

formula

  • C29H32O9

has_role

inchi

  • InChI=1S/C29H32O9/c1-13(30)19-17(35-5)12-16-14(20(19)31)11-15-21(32)36-23-27-10-7-18-25(2,3)8-6-9-26(18,4)22(27)28(34,24(33)38-27)29(15,23)37-16/h11-12,18,22-23,31,34H,6-10H2,1-5H3/t18-,22+,23+,26-,27+,28+,29?/m1/s1

inchikey

  • XMCKQXKJWRGZMH-YTUCCQTESA-N

mass

  • 524.55900

monoisotopicmass

  • 524.20463

smiles

  • [H][C@]12CC[C@]34OC(=O)[C@@](O)([C@@]3([H])[C@]1(C)CCCC2(C)C)C12Oc3cc(OC)c(C(C)=O)c(O)c3C=C1C(=O)O[C@@]42[H]

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:69823

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