MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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Lucidadiol

	Properties	Image
MNX_ID	MNXM127431
reference	chebi:226634
formula	C₃₀H₄₈O₃
global charge	0
mol weight	456.711
InChIKey	AZPOACUDFJKUHJ-GPEQXWBKSA-N
InChI	InChI=1S/C30H48O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24-25,31,33H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,25+,28-,29-,30+/m1/s1
SMILES	C/C(=C\CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3=O)CO

MNX internals

InChI (mnx)	InChI=1/C30H48O3/c1-19(18-31)9-8-10-20(2)21-11-16-30(7)26-22(12-15-29(21,30)6)28(5)14-13-25(33)27(3,4)24(28)17-23(26)32/h9,20-21,24-25,31,33H,8,10-18H2,1-7H3/b19-9+/t20-,21-,24+,25+,28-,29-,30+/m1/s1
SMILES (mnx)	[CH3:1]/[C:19](=[CH:9]\[CH2:8][CH2:10][C@@H:20]([CH3:2])[C@H:21]1[CH2:11][CH2:16][C@@:30]2([CH3:7])[C:26]3=[C:22]([CH2:12][CH2:15][C@:29]12[CH3:6])[C@@:28]1([CH3:5])[CH2:14][CH2:13][C@H:25]([OH:33])[C:27]([CH3:3])([CH3:4])[C@@H:24]1[CH2:17][C:23]3=[O:32])[CH2:18][OH:31]

Parent-child relations graph

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

Similar chemical compounds in external resources
Identifier	Description
CHEBI:226634 chebi:226634 AZPOACUDFJKUHJ-GPEQXWBKSA-N	Lucidadiol (3S,5R,10S,13R,14R,17R)-3-hydroxy-17-[(E,2R)-7-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one
hmdb:HMDB0040455 AZPOACUDFJKUHJ-DJKKODMXSA-N	Lucidadiol 3,26-Dihydroxylanost-8,24-dien-7-one 5-hydroxy-14-[(5E)-7-hydroxy-6-methylhept-5-en-2-yl]-2,6,6,11,15-pentamethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-9-one
hmdb:HMDB40455	secondary/obsolete/fantasy identifier