Feedback

Ganoderic acid A

Properties

Image

Occurences in reactions

MNX_ID

MNXM125882

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

formula

C₃₀H₄₄O₇

charge

mass

516.3087

reference

chebi:168262

InChIKey

DYOKDAQBNHPJFD-JNTBEZBXSA-N

InChI

InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21,23,32,35H,8-14H2,1-7H3,(H,36,37)/t15-,16-,18-,19+,21+,23+,28+,29-,30+/m1/s1

SMILES

C[C@H](CC(=O)C[C@@H](C)[C@H]1C[C@H](O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O)C(=O)O

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:168262 chebi:168262	Ganoderic acid A (2R,6R)-6-[(5R,7S,10S,13R,14R,15S,17R)-7,15-dihydroxy-4,4,10,13,14-pentamethyl-3,11-dioxo-2,5,6,7,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-4-oxoheptanoic acid
lipidmaps:LMST01010391 lipidmapsM:LMST01010391	Ganoderic acid A (25R)-3,11,23-trioxo-7beta,15alpha-dihydroxy-lanost-8-ene-26-oic acid O7 ST 30:5
hmdb:HMDB0034931	Ganoderic acid A 6-{9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoate 6-{9,12-dihydroxy-2,6,6,11,15-pentamethyl-5,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoic acid 7beta,15alpha-Dihydroxy-3,11,23-trioxo-5alpha-lanost-8-en-26-Oic acid Ganoderate a Ganoderic acid a ganoderic acid
hmdb:HMDB34931	secondary/obsolete/fantasy identifier