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physalin B

Properties

Image

Occurences in reactions

MNX_ID

MNXM107953

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

formula

C₂₈H₃₀O₉

charge

mass

510.18898

reference

chebi:69017

InChIKey

HVTFEHJSUSPQBK-IIOAQAAUSA-N

InChI

InChI=1S/C28H30O9/c1-23-11-18-25(3)28-19(23)20(30)27(37-28,34-12-16(23)21(31)35-18)15-8-7-13-5-4-6-17(29)24(13,2)14(15)9-10-26(28,33)22(32)36-25/h4,6-7,14-16,18-19,33H,5,8-12H2,1-3H3/t14-,15+,16-,18+,19-,23+,24-,25-,26+,27+,28-/m0/s1

SMILES

C[C@@]12C[C@H]3OC(=O)[C@@H]1CO[C@]14O[C@]5([C@H]2C1=O)[C@@](O)(CC[C@H]1[C@H]4CC=C2CC=CC(=O)[C@@]21C)C(=O)O[C@@]35C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:69017 chebi:69017	physalin B
hmdb:HMDB0030128	Physalin B 5-hydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.1¹⁸,²⁷.0¹,⁵.0²,²⁴.0⁸,¹⁷.0⁹,¹⁴.0²¹,²⁶]nonacosa-11,14-diene-4,10,22,29-tetrone Physalin b physalin B
hmdb:HMDB30128	secondary/obsolete/fantasy identifier