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(22R,23R)-28-homobrassinolide 22-sulfate

MNXM819798 is deprecated and replaced by MNXM13508

Properties

Image

Occurences in reactions

MNX_ID

MNXM13508

	#reac
in my sandbox	0
in MNXref (generic)	1
in models (compartimentalized)	0

formula

C₂₉H₄₉O₉S

charge

-1

mass

573.31028

reference

metacycM:CPD-11826

InChIKey

CIZSJGKCVNJXTC-NNPZUXBVSA-M

InChI

InChI=1S/C29H50O9S/c1-7-17(15(2)3)25(32)26(38-39(34,35)36)16(4)19-8-9-20-18-14-37-27(33)22-12-23(30)24(31)13-29(22,6)21(18)10-11-28(19,20)5/h15-26,30-32H,7-14H2,1-6H3,(H,34,35,36)/p-1/t16-,17-,18-,19+,20-,21-,22+,23-,24+,25+,26+,28+,29+/m0/s1

SMILES

CC[C@@H](C(C)C)[C@@H](O)[C@H](OS(=O)(=O)[O-])[C@@H](C)[C@H]1CC[C@H]2[C@@H]3COC(=O)[C@H]4C[C@H](O)[C@H](O)C[C@]4(C)[C@H]3CC[C@@]21C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
metacyc.compound:CPD-11826 metacycM:CPD-11826	(22R,23R)-28-homobrassinolide 22-sulfate
sabiork.compound:31334 sabiorkM:31334	(22R,23R)-28-Homobrassinolide 22-sulfate
seed.compound:cpd23095 seedM:cpd23095	(22R,23R)-28-homobrassinolide-22-sulfate (22R,23R)-28-homobrassinolide 22-sulfate
seedM:M_cpd23095	secondary/obsolete/fantasy identifier