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kauralexin B2

MNXM18813 is deprecated and here replaced by MNXM1368718
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1368718 Image of MNXM1368718
referencemetacycM:CPD-13543
formulaC20H26O4
global charge-2
mol weight330.424
InChIKeyYQNLDLVKFNZFTI-POLCOUMTSA-L
InChIInChI=1S/C20H28O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h11-12,14-15H,3-10H2,1-2H3,(H,21,22)(H,23,24)/p-2/t12-,14+,15+,18-,19-,20+/m1/s1
SMILESC[C@@]12CCC[C@@](C)(C(=O)[O-])[C@H]1CC[C@]13C=C(C(=O)[O-])[C@H](CC[C@H]12)C3
MNX internals
InChI (mnx)InChI=1/C20H28O4/c1-18-7-3-8-19(2,17(23)24)14(18)6-9-20-10-12(4-5-15(18)20)13(11-20)16(21)22/h11-12,14-15H,3-10H2,1-2H3,(H,21,22)(H,23,24)/t12-,14+,15+,18-,19-,20+/m1/s1 Image of MNXM1368718
SMILES (mnx)[CH3:1][C@@:18]12[CH2:7][CH2:3][CH2:8][C@@:19]([CH3:2])([C:17](=[O:23])[OH:24])[C@H:14]1[CH2:6][CH2:9][C@@:20]13[CH2:10][C@@H:12]([CH2:4][CH2:5][C@@H:15]21)[C:13]([C:16](=[O:21])[OH:22])=[CH:11]3
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

metacyc.compound:CPD-13543
metacycM:CPD-13543
YQNLDLVKFNZFTI-POLCOUMTSA-L 		kauralexin B2
ent-kaur-15-en-17,19-dioate
ent-kauran-17,19-dioic acid