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geumonoid

PropertiesImage
MNX_IDMNXM105353 Image of MNXM105353
referencechebi:65959
formulaC30H46O5
global charge0
mol weight486.693
InChIKeyJYKBQWDGVKFSAL-FAPPRUROSA-N
InChIInChI=1S/C30H46O5/c1-18-29(7)17-21(32)24(33)26(3,4)22(29)11-14-30(18,19(2)31)16-20-9-10-23-27(5,15-20)12-8-13-28(23,6)25(34)35/h9-10,15,18,21-24,32-33H,8,11-14,16-17H2,1-7H3,(H,34,35)/t18-,21-,22+,23+,24+,27-,28-,29-,30+/m1/s1
SMILESCC(=O)[C@]1(CC2=C[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@H]3C=C2)CC[C@H]2C(C)(C)[C@@H](O)[C@H](O)C[C@]2(C)[C@H]1C
MNX internals
InChI (mnx)InChI=1/C30H46O5/c1-18-29(7)17-21(32)24(33)26(3,4)22(29)11-14-30(18,19(2)31)16-20-9-10-23-27(5,15-20)12-8-13-28(23,6)25(34)35/h9-10,15,18,21-24,32-33H,8,11-14,16-17H2,1-7H3,(H,34,35)/t18-,21-,22+,23+,24+,27-,28-,29-,30+/m1/s1 Image of MNXM105353
SMILES (mnx)[CH3:1][C@@H:18]1[C@@:29]2([CH3:7])[CH2:17][C@@H:21]([OH:32])[C@H:24]([OH:33])[C:26]([CH3:3])([CH3:4])[C@@H:22]2[CH2:11][CH2:14][C@@:30]1([CH2:16][C:20]1=[CH:15][C@@:27]2([CH3:5])[CH2:12][CH2:8][CH2:13][C@@:28]([CH3:6])([C:25](=[O:34])[OH:35])[C@H:23]2[CH:10]=[CH:9]1)[C:19]([CH3:2])=[O: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
IdentifierDescription

CHEBI:65959
chebi:65959
JYKBQWDGVKFSAL-FAPPRUROSA-N 		geumonoid
(1R,4aR,8aS)-6-{[(1R,2S,4aR,6R,7R,8aR)-2-acetyl-6,7-dihydroxy-1,5,5,8a-tetramethyldecahydronaphthalen-2-yl]methyl}-1,4a-dimethyl-1,2,3,4,4a,8a-hexahydronaphthalene-1-carboxylic acid