InChI=1S/C29H44O4/c1-15(19-10-17(19)3)6-7-16(2)27-25(32)13-22-20-12-24(31)23-11-18(30)8-9-28(23,4)21(20)14-26(33)29(22,27)5/h11,15-17,19-22,25-27,32-33H,6-10,12-14H2,1-5H3/t15-,16-,17-,19+,20-,21+,22+,25-,26+,27+,28-,29-/m1/s1 |
CCQDDFQSXHNPBD-DZNVSCBGSA-N |
O[C@@H]1[C@]2([C@]([C@]3([C@](C1)([C@@]4(C(C(=O)C3)=CC(=O)CC4)C)[H])[H])(C[C@@H](O)[C@@]2([C@@H](CC[C@H]([C@]5([C@@H](C5)C)[H])C)C)[H])[H])C |
|
Malus domestica
(NCBI:txid3750)
|
Found in
exocarp
(BTO:0000733).
of strain
Malus x domestica Borkh. cv. Ruixue
See:
MetaboLights Study
|
Outgoing
|
(25R)-12alpha-hydroxy-24R,26R-dimethyl-26,27-cyclo-cholest-4-en-3,6-dione
(CHEBI:168280)
is a
cholestanoid
(CHEBI:50401)
|
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(8R,9S,10R,12S,13S,14S,16R,17R)-12,16-dihydroxy-10,13-dimethyl-17-[(2R,5R)-5-[(1R,2R)-2-methylcyclopropyl]hexan-2-yl]-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione
|
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