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CHEBI:217351 - Stachartarin A

ChEBI IDCHEBI:217351
ChEBI NameStachartarin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC46H62O9
Net Charge0
Average Mass758.993
Monoisotopic Mass758.43938
SMILESC[C@@H]1CC[C@H]2C(C)(C)[C@H](O)CC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)[C@@H](O)[C@H](c1c(CO)cc(O)c2c1O[C@]1(C2)[C@H](C)CC[C@H]2C(C)(C)[C@H](O)CC[C@@]21C)C3=O
InChIInChI=1S/C46H62O9/c1-22-9-11-30-41(3,4)32(50)13-15-43(30,7)45(22)19-26-28(48)17-24(21-47)34(39(26)54-45)36-37(52)25-18-29(49)27-20-46(55-40(27)35(25)38(36)53)23(2)10-12-31-42(5,6)33(51)14-16-44(31,46)8/h17-18,22-23,30-33,36,38,47-51,53H,9-16,19-21H2,1-8H3/t22-,23-,30+,31+,32-,33-,36-,38-,43+,44+,45-,46-/m1/s1
InChIKeyHRXKKENEEGSHKS-QDMNXANKSA-N
Species of MetaboliteComponentSourceComments
Stachybotrys chartarum (ncbitaxon:74722) - PubMed (29288026)
ChEBI Ontology
Outgoing Relation(s)
Stachartarin A (CHEBI:217351) is a phenylpropanoid (CHEBI:26004)
IUPAC Name 
(3R,4aS,7R,7'S,8R,8'S,8aS)-7'-[(3R,4aS,7R,8R,8aS)-3,4'-dihydroxy-6'-(hydroxymethyl)-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-3H-1-benzouran]-7'-yl]-3,4',8'-trihydroxy-4,4,7,8a-tetramethylspiro[2,3,4a,5,6,7-hexahydro-1H-naphthalene-8,2'-7,8-dihydro-3H-cyclopenta[g][1]benzouran]-6'-one