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Eremopetasitenin D2

Properties

Image

Occurences in reactions

MNX_ID

MNXM125351

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

formula

C₂₅H₃₄O₇S

charge

mass

478.20252

reference

chebi:176161

InChIKey

WAJCGTCCWFRXDF-LVIRMKODSA-N

InChI

InChI=1S/C25H34O7S/c1-8-14(2)22(27)31-21-20-15(3)23(28)32-25(20,29-6)13-17-9-10-18(16(4)24(17,21)5)30-19(26)11-12-33-7/h8,11-12,16-18,21H,9-10,13H2,1-7H3/b12-11+,14-8-

SMILES

C/C=C(/C)C(=O)OC1C2=C(C)C(=O)OC2(OC)CC2CCC(OC(=O)/C=C/SC)C(C)C21C

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Similar chemical compounds in external resources
Identifier	Description
CHEBI:176161 chebi:176161	Eremopetasitenin D2 [9a-methoxy-3,4a,5-trimethyl-6-[(E)-3-methylsulanylprop-2-enoyl]oxy-2-oxo-5,6,7,8,8a,9-hexahydro-4H-benzo[][1]benzouran-4-yl] (Z)-2-methylbut-2-enoate
hmdb:HMDB0032774	Eremopetasitenin D2 9a-Methoxy-3,4a,5-trimethyl-6-{[(2E)-3-(methylsulfanyl)prop-2-enoyl]oxy}-2-oxo-2H,4H,4ah,5H,6H,7H,8H,8ah,9H,9ah-naphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoic acid 9a-Methoxy-3,4a,5-trimethyl-6-{[(2E)-3-(methylsulphanyl)prop-2-enoyl]oxy}-2-oxo-2H,4H,4ah,5H,6H,7H,8H,8ah,9H,9ah-naphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoate 9a-Methoxy-3,4a,5-trimethyl-6-{[(2E)-3-(methylsulphanyl)prop-2-enoyl]oxy}-2-oxo-2H,4H,4ah,5H,6H,7H,8H,8ah,9H,9ah-naphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoic acid 9a-methoxy-3,4a,5-trimethyl-6-{[(2E)-3-(methylsulfanyl)prop-2-enoyl]oxy}-2-oxo-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoate 9a-methoxy-3,4a,5-trimethyl-6-{[(2E)-3-(methylsulfanyl)prop-2-enoyl]oxy}-2-oxo-4H,5H,6H,7H,8H,8aH,9H-naphtho[2,3-b]furan-4-yl (2Z)-2-methylbut-2-enoate
hmdb:HMDB32774	secondary/obsolete/fantasy identifier