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actinidic acid

PropertiesImage
MNX_IDMNXM102352 Image of MNXM102352
referencechebi:71457
formulaC30H46O5
global charge0
mol weight486.693
InChIKeyFFMVHFPLIIYYNC-QXIFDOFRSA-N
InChIInChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,18,20-24,31-33H,1,8-16H2,2-6H3,(H,34,35)/t18-,20+,21+,22+,23-,24-,26-,27-,28+,29+,30-/m0/s1
SMILESC=C1CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@H]1C
MNX internals
InChI (mnx)InChI=1/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,18,20-24,31-33H,1,8-16H2,2-6H3,(H,34,35)/t18-,20+,21+,22+,23-,24-,26-,27-,28+,29+,30-/m0/s1 Image of MNXM102352
SMILES (mnx)[CH2:1]=[C:17]1[CH2:9][CH2:12][C@:30]2([C:25](=[O:34])[OH:35])[CH2:14][CH2:13][C@:28]3([CH3:5])[C:19](=[CH:7][CH2:8][C@@H:22]4[C@@:26]5([CH3:3])[CH2:15][C@@H:20]([OH:32])[C@H:24]([OH:33])[C@@:27]([CH3:4])([CH2:16][OH:31])[C@@H:21]5[CH2:10][CH2:11][C@:29]43[CH3:6])[C@@H:23]2[C@H:18]1[CH3:2]
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
IdentifierDescription

CHEBI:71457
chebi:71457
FFMVHFPLIIYYNC-QXIFDOFRSA-N 		actinidic acid
(2alpha,3beta)-2,3,23-trihydroxyursa-12,20(30)-dien-28-oic acid
hmdb:HMDB0037963
FFMVHFPLIIYYNC-UHFFFAOYSA-N 		Actinidic acid
10,11-Dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid
10,11-dihydroxy-9-(hydroxymethyl)-1,6a,6b,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydropicene-4a-carboxylic acid
Actinidate

lipidmaps:LMPR0106180010
lipidmapsM:LMPR0106180010
FFMVHFPLIIYYNC-QXIFDOFRSA-N 		Actinidic acid
2alpha,3beta,23-trihydroxyursa-12,20(30)-dien-28-oic acid

hmdb:HMDB37963 		secondary/obsolete/fantasy identifier