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langduin A

PropertiesImage
MNX_IDMNXM106051 Image of MNXM106051
referencechebi:69822
formulaC20H28O5
global charge0
mol weight348.439
InChIKeyBGNXBPPAQJJLSA-QEUCBDMBSA-N
InChIInChI=1S/C20H28O5/c1-10(2)17-14-7-13(9-21)8-19(24)16(5-11(3)18(19)23)20(14,25)12(4)6-15(17)22/h5,7,10,12,14,16-17,21,24-25H,6,8-9H2,1-4H3/t12-,14+,16-,17+,19-,20-/m1/s1
SMILESCC1=C[C@H]2[C@@]3(O)[C@H](C)CC(=O)[C@@H](C(C)C)[C@@H]3C=C(CO)C[C@]2(O)C1=O
MNX internals
InChI (mnx)InChI=1/C20H28O5/c1-10(2)17-14-7-13(9-21)8-19(24)16(5-11(3)18(19)23)20(14,25)12(4)6-15(17)22/h5,7,10,12,14,16-17,21,24-25H,6,8-9H2,1-4H3/t12-,14+,16-,17+,19-,20-/m1/s1 Image of MNXM106051
SMILES (mnx)[CH3:1][CH:10]([CH3:2])[C@H:17]1[C@@H:14]2[CH:7]=[C:13]([CH2:9][OH:21])[CH2:8][C@@:19]3([OH:24])[C@@H:16]([CH:5]=[C:11]([CH3:3])[C:18]3=[O:23])[C@@:20]2([OH:25])[C@H:12]([CH3:4])[CH2:6][C:15]1=[O:22]
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:69822
chebi:69822
BGNXBPPAQJJLSA-QEUCBDMBSA-N 		langduin A