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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 > organic hydroxy compound > alcohol > tertiary alcohol > epi-cochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > tertiary alcohol > epi-cochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotetracyclic compound > epi-cochlioquinone 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 > organic heteropolycyclic compound > organic heterotetracyclic compound > epi-cochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteropolycyclic compound > organic heterotetracyclic compound > epi-cochlioquinone a
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic hydroxy compound > alcohol > secondary alcohol > epi-cochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > secondary alcohol > epi-cochlioquinone a
organooxygen compound > ester > carboxylic ester > acetate ester > epi-cochlioquinone a
organooxygen compound > carbonyl compound > carboxylic ester > acetate ester > epi-cochlioquinone 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 > acetate ester > epi-cochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > carboxylic ester > acetate ester > epi-cochlioquinone a
organooxygen compound > ether > cyclic ether > epi-cochlioquinone a
organooxygen compound > oxacycle > cyclic ether > epi-cochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epi-cochlioquinone 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 > cyclic ether > epi-cochlioquinone a
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > oxacycle > cyclic ether > epi-cochlioquinone a

Preferred term

epi-cochlioquinone a  

Type

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

Broader concept

charge

  • 0

formula

  • C30H44O8

has_role

inchi

  • InChI=1S/C30H44O8/c1-9-15(2)25(36-17(4)31)16(3)18-14-19(32)22-24(34)27-29(7)12-10-20(28(5,6)35)37-21(29)11-13-30(27,8)38-26(22)23(18)33/h14-16,20-21,24-25,27,34-35H,9-13H2,1-8H3/t15-,16-,20+,21+,24+,25+,27+,29-,30-/m0/s1

inchikey

  • UWSYUCZPPVXEKW-UDLMDNSSSA-N

mass

  • 532.66560

monoisotopicmass

  • 532.30362

smiles

  • [H][C@@]12CC[C@]3(C)OC4=C([C@@H](O)[C@]3([H])[C@@]1(C)CC[C@@H](O2)C(C)(C)O)C(=O)C=C([C@H](C)[C@H](OC(C)=O)[C@@H](C)CC)C4=O

subset

  • 3_STAR

synonym EXACT

  • (2S,3R,4S)-2-[(3R,4aR,6aS,12S,12aS,12bR)-12-hydroxy-3-(2-hydroxypropan-2-yl)-6a,12b-dimethyl-8,11-dioxo-1,2,3,4a,5,6,6a,8,11,12,12a,12b-dodecahydropyrano[3,2-a]xanthen-9-yl]-4-methylhexan-3-yl acetate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:65847

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