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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 > organic hydroxy compound > alcohol > aliphatic alcohol > berkleasmin b
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > organic hydroxy compound > alcohol > aliphatic alcohol > berkleasmin b

Preferred term

berkleasmin b  

Type

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

Broader concept

charge

  • 0

formula

  • C30H46O7

inchi

  • InChI=1S/C30H46O7/c1-7-8-9-10-11-22(17-32)14-18(2)25(33)21(5)28(35)36-24-13-12-20(4)29(6)15-23(19(3)16-31)26(34)27-30(24,29)37-27/h14,16,20-25,27,32-33H,3,7-13,15,17H2,1-2,4-6H3/b18-14+/t20-,21+,22?,23-,24+,25+,27+,29+,30+/m0/s1

inchikey

  • VXSWBXLZHSTLGB-YHJSBQMQSA-N

mass

  • 518.691

monoisotopicmass

  • 518.32435

smiles

  • O=C1[C@H](C(C=O)=C)C[C@@]2([C@H](CC[C@H]([C@]32[C@@H]1O3)OC(=O)[C@@H]([C@H](O)/C(=C/C(CO)CCCCCC)/C)C)C)C

subset

  • 2_STAR

synonym EXACT

  • [(1aS,3S,4aR,5S,8R,8aR)-4a,5-dimethyl-2-oxo-3-(3-oxoprop-1-en-2-yl)-3,4,5,6,7,8-hexahydro-1aH-naphtho[8,8a-b]oxiren-8-yl] (E,2R,3S)-3-hydroxy-6-(hydroxymethyl)-2,4-dimethyldodec-4-enoate

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:215033

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