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protodioscin

PropertiesImage
MNX_IDMNXM25652 Image of MNXM25652
referencechebi:8588
formulaC51H84O22
global charge0
mol weight1049.211
InChIKeyLVTJOONKWUXEFR-UEZXSUPNSA-N
InChIInChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1
SMILESC[C@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@H](O)[C@H]6O[C@@H]6O[C@@H](C)[C@H](O)[C@@H](O)[C@H]6O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
MNX internals
InChI (mnx)InChI=1/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21+,22+,23+,25+,26-,27+,28+,29+,30-,31-,32+,33+,34+,35-,36-,37-,38+,39-,40-,41-,42+,43-,44-,45-,46+,47+,48-,49+,50+,51-/m1/s1 Image of MNXM25652
SMILES (mnx)[CH3:1][C@H:20]([CH2:9][CH2:14][C@:51]1([OH:64])[C@@H:21]([CH3:2])[C@H:32]2[C@H:29]([CH2:16][C@H:28]3[C@@H:26]4[CH2:8][CH:7]=[C:24]5[CH2:15][C@@H:25]([O:68][C@H:48]6[C@H:44]([O:72][C@H:47]7[C@H:41]([OH:62])[C@H:37]([OH:58])[C@@H:34]([OH:55])[C@H:23]([CH3:4])[O:67]7)[C@@H:42]([OH:63])[C@H:43]([O:71][C@H:46]7[C@H:40]([OH:61])[C@H:36]([OH:57])[C@@H:33]([OH:54])[C@H:22]([CH3:3])[O:66]7)[C@@H:31]([CH2:18][OH:53])[O:70]6)[CH2:10][CH2:12][C@:49]5([CH3:5])[C@H:27]4[CH2:11][CH2:13][C@@:50]32[CH3:6])[O:73]1)[CH2:19][O:65][C@H:45]1[C@H:39]([OH:60])[C@@H:38]([OH:59])[C@H:35]([OH:56])[C@@H:30]([CH2:17][OH:52])[O:69]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)1
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:8588
chebi:8588
LVTJOONKWUXEFR-UEZXSUPNSA-N 		protodioscin
(3beta,22R,25R)-26-(beta-D-glucopyranosyloxy)-22-hydroxyfurost-5-en-3-yl alpha-L-rhamnopyranosyl-(1->2)-[alpha-L-rhamnopyranosyl-(1->4)]-beta-D-glucopyranoside
Protodioscin

lipidmaps:LMST01070012
lipidmapsM:LMST01070012
LVTJOONKWUXEFR-UEZXSUPNSA-N 		3-O-(Rhaa1-4(Rhaa1-2)Glcb)-26-O-(Glcb)-(25R)-furost-5-en-3beta,22,26-triol
3-O-(alpha-l-rhamnopyranosyl-(1-2)-(alpha-L-rhamnopyranosyl-(1-4))-beta-D-glucopyranosyl)-26-O-(beta-D-glucopyranosyl)-(25R)-furost-5-ene-3beta,22,26-triol

seed.compound:cpd05803
seedM:cpd05803
kegg.compound:C08907
keggC:C08907
LVTJOONKWUXEFR-UEZXSUPNSA-N 		Protodioscin

metacyc.compound:CPD-15469
metacycM:CPD-15469
seed.compound:cpd32196
seedM:cpd32196
LVTJOONKWUXEFR-UVPJVILJSA-N 		protodioscin

keggC:M_C08907
seedM:M_cpd05803
seedM:M_cpd32196 		secondary/obsolete/fantasy identifier