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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 > triterpenoid > resinacein m
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > lipid > isoprenoid > terpenoid > triterpenoid > resinacein m

Preferred term

resinacein m  

Type

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

Broader concept

charge

  • 0

formula

  • C30H42O8

inchi

  • InChI=1S/C30H42O8/c1-14(10-18(32)25(36)15(2)26(37)38)16-11-22(35)30(7)24-17(31)12-20-27(3,4)21(34)8-9-28(20,5)23(24)19(33)13-29(16,30)6/h10,15-17,20-21,25,31,34,36H,8-9,11-13H2,1-7H3,(H,37,38)/b14-10+/t15?,16-,17+,20?,21+,25?,28+,29-,30+/m1/s1

inchikey

  • RRZCIJOEXYRBDW-XYTNWHGLSA-N

mass

  • 530.658

monoisotopicmass

  • 530.28797

smiles

  • O=C1C2=C([C@@]3(C(=O)C[C@@H]([C@]3(C1)C)/C(=C/C(=O)C(O)C(C(=O)O)C)/C)C)[C@@H](O)CC4[C@@]2(CC[C@@H](C4(C)C)O)C

subset

  • 2_STAR

synonym EXACT

  • (E)-6-[(3S,7S,10S,13R,14R,17R)-3,7-dihydroxy-4,4,10,13,14-pentamethyl-11,15-dioxo-2,3,5,6,7,12,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-3-hydroxy-2-methyl-4-oxohept-5-enoic acid

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215575

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