CHEBI:228355 - Merosterolic acid A

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Merosterolic acid A
ChEBI ID CHEBI:228355
Definition Meroterpenoid from Scytonema sp. cyanobacteria
Stars This entity has been manually annotated by a third party.
Submitter Milana Perkovic
Supplier Information
Download Molfile XML SDF
Formula C27H38O4
Net Charge 0
Average Mass 426.597
Monoisotopic Mass 426.27701
InChI InChI=1S/C27H38O4/c1-24(2)9-6-10-25(3)18(24)7-11-26(4)19(25)8-12-27(5)20(26)14-15-21(27)16(23(30)31)13-17(28)22(15)29/h13,18-20,28-29H,6-12,14H2,1-5H3,(H,30,31)/t18-,19+,20-,25-,26+,27-/m1/s1
InChIKey VSODJBVPHOOTEU-OBYLJCASSA-N
SMILES C1[C@@]2([C@@](C(CC1)(C)C)(CC[C@]3([C@]2(CC[C@@]4([C@@]3(CC=5C4=C(C=C(C5O)O)C(O)=O)[H])C)[H])C)[H])C
ChEBI Ontology
Outgoing Merosterolic acid A (CHEBI:228355) is a organic molecular entity (CHEBI:50860)